SCHEMBL1928086

SCHEMBL1928086

COc1cc([N+](=O)[O-])ccc1OCCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ACHE P22303 3/20 0.51
MCHR1 Q99705 1/20 0.51
LMNA P02545 3/20 0.50
LTA4H P09960 2/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
EHMT2 Q96KQ7 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31378757 0.99 HRH3 (0.55) HRH3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL18788160 0.95 HRH3 (0.56) HRH3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL264564 0.94 LTA4H (0.57) HRH3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL12448363 0.91 ALDH1A1 (0.58) HRH3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL5381777 0.91 LTA4H (0.54) HRH3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL1667288 0.89 KMT2A (0.60) ALDH1A1SMN1; SMN2MAPTHPGDNPC1
SCHEMBL31378679 0.89 KMT2A (0.60) ALDH1A1SMN1; SMN2MAPTHPGDNPC1
SCHEMBL19462241 0.89 ALDH1A1 (0.56) HRH3ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL1929880 0.89 LTA4H (0.57) HRH3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL5476571 0.88 LTA4H (0.56) ALDH1A1SMN1; SMN2MAPTHPGDNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12172980-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XWPharma Ltd. (KY) 2024-12-24 US disclosed
EP-3856719-B1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPHARMA LTD (KY) 2023-06-07 EP disclosed
US-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2022-12-01 US disclosed
US-11420955-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XWPharma Ltd. (KY) 2022-08-23 US disclosed
CN-114042070-A Compounds as neuronal histamine receptor-3 antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2022-02-15 CN disclosed
CN-112004802-B Compounds as neuronal histamine receptor-3 antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-12-28 CN disclosed
US-20210188808-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2021-06-24 US disclosed
US-10968202-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XW LABORATORIES INC. (KY) 2021-04-06 US disclosed
CN-112004802-A Compounds as neuronal histamine receptor-3 antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2020-11-27 CN disclosed
US-20200369645-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2020-11-26 US disclosed
US-7553836-B2 7-(4-Chlorophenyl)-2-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one trifluoroacetic acid salt; obesity; antidiabetic agents; antidepressants; anxiolytic agents; combination with antipsychotic drugs enhanced therayp for schizophrenic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-30 US disclosed
EP-1987039-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-11-05 EP disclosed
WO-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 1448/4885SMN1; SMN2 2224/4885
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 HRH3 714/4885ALDH1A1 2468/4885SMN1; SMN2 3783/4885
US-12172980-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 1370/4885SMN1; SMN2 2230/4885
US-10968202-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 1370/4885SMN1; SMN2 2230/4885
US-20200369645-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 1370/4885SMN1; SMN2 2230/4885
US-20210188808-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 1370/4885SMN1; SMN2 2230/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS HRH3 3756/4885ALDH1A1 2328/4885SMN1; SMN2 2924/4885
US-11420955-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 1370/4885SMN1; SMN2 2230/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R HRH3 365/4885ALDH1A1 446/4885SMN1; SMN2 1853/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.