SCHEMBL1780546

SCHEMBL1780546

COc1ccccc1OC1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.62
SLC6A2 P23975 7/20 0.61
SLC6A3 Q01959 6/20 0.61
HTR1A P08908 4/20 0.61
HTR2C P28335 2/20 0.59
PDE4B Q07343 1/20 0.50
SLC6A4 P31645 4/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GNAI3 P08754 1/20 0.47

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
Hydrochloric Acid SCHEMBL4100905 0.98 HRH1 (0.60) HRH1SLC6A2SLC6A3HTR1AHTR2C
SCHEMBL8271827 0.89 SLC6A2 (0.63) HRH1SLC6A2SLC6A3HTR1AHTR2C
SCHEMBL8271831 0.89 SLC6A2 (0.63) HRH1SLC6A2SLC6A3HTR1AHTR2C
SCHEMBL9670802 0.89 SLC6A2 (0.63) HRH1SLC6A2SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL4133478 0.88 SLC6A2 (0.61) HRH1SLC6A2SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL9132412 0.88 SLC6A2 (0.61) HRH1SLC6A2SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL4129951 0.88 SLC6A2 (0.61) HRH1SLC6A2SLC6A3HTR1AHTR2C
SCHEMBL16946799 0.86 CA1 (0.59) HRH1SLC6A2SLC6A3HTR1AHTR2C
SCHEMBL11066031 0.84 HRH1 (0.53) HRH1SLC6A2SLC6A3HTR1AHTR2C
Ammonia Solution, Strong SCHEMBL7413397 0.84 CA12 (0.56) HRH1SLC6A2SLC6A3HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
CN-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 CN disclosed
EP-4065570-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2022-10-05 EP disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
WO-2021105115-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 US disclosed
WO-2007009236-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO disclosed
CN-1055690-C 4-aryloxy-and 4-arylthiopiperidine derivatives MERCK PATENT GMBH (DE) 2000-08-23 CN disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
CN-1106008-A 4-aryloxy-and 4-arylthiopiperidine derivatives MERCK PATENT GMBH (DE) 1995-08-02 CN 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 (6 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E HRH1 265/4885SLC6A2 182/4885SLC6A3 226/4885
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HRH1 326/4885SLC6A2 4689/4885SLC6A3 4567/4885
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS HRH1 1812/4885SLC6A2 1267/4885SLC6A3 1508/4885
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 HRH1 2403/4885SLC6A2 4168/4885SLC6A3 3928/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HRH1 3100/4885SLC6A2 5/4885SLC6A3 21/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C HRH1 447/4885SLC6A2 191/4885SLC6A3 190/4885

“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.