SCHEMBL3258812

SCHEMBL3258812

O=CN1CCN(c2ccccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLD1 Q13393 1/20 0.58
▸ KDM4E B2RXH2 10/20 0.57
▸ ALDH1A1 P00352 7/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HSD17B10 Q99714 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ LMNA P02545 1/20 0.50

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
SCHEMBL29974045 1.00 PLD1 (0.58) PLD1KDM4EALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL20337933 0.98 PLD1 (0.56) PLD1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL28434892 0.95 PLD1 (0.53) PLD1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL29857922 0.86 PLD1 (0.73) PLD1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL21353591 0.86 — —
SCHEMBL15800694 0.86 PLD1 (0.73) PLD1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL25561240 0.80 ALDH1A1 (0.61) PLD1ALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL27580597 0.80 ALDH1A1 (0.82) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL4002258 0.80 KDM4E (0.55) PLD1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL14562620 0.80 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 — — CN claimed
US-8309726-B2 Substituted piperazine compounds of formula 8 COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-13 — — US claimed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 — — EP claimed
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 — — CN claimed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 — — WO claimed
CN-1531537-A Novel tricyclic pyridyl benzazepine * carboxamides and derivatives thereof useful as tocolytic oxytocin receptor antagonists — 2004-09-22 — — CN claimed
CN-1501934-A Novel 3-c(o)r substituted 10-cyclohexylbenzoyl pyrrolobenzodiazepines, tocolytic oxytocin receptor antagonists 惠氏公司 2004-06-02 — — CN claimed
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 — — US claimed
WO-2024131265-A1 COMPOUND FOR TREATING PI3Kγ-MEDIATED DISEASES AND USE THEREOF 中国科学院合肥物质科学研究院 2024-06-27 — — WO disclosed
CN-118239953-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2024-06-25 — — CN disclosed
CN-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 — — CN disclosed
CN-111511730-A Amide substituted indole compounds useful as T L R inhibitors 百时美施贵宝公司 2020-08-07 — — CN disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 — — US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 — — US disclosed
CN-1501934-A Novel 3-c(o)r substituted 10-cyclohexylbenzoyl pyrrolobenzodiazepines, tocolytic oxytocin receptor antagonists 惠氏公司 2004-06-02 — — CN disclosed
US-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands ASTRAZENECA AB (SE) 2004-04-08 — — US disclosed
EP-1358157-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS AstraZeneca AB (SE) 2003-11-05 — — EP disclosed
WO-2002051806-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2002-07-04 — — WO disclosed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 — — US disclosed
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 — — US 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 (1 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-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands NPY5R, NPY1R, NPY2R PLD1 2541/4885KDM4E 2632/4885ALDH1A1 3697/4885

“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.

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