SCHEMBL3888976

SCHEMBL3888976

c1cc2ccc3nccc3c2on1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.33
DHFR P00374 1/20 0.33
GAA P10253 1/20 0.33
RAD52 P43351 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
NR4A2 P43354 1/20 0.31
NCF1 P14598 1/20 0.31

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
SCHEMBL7421261 0.72 MAP4K4 (0.32)
SCHEMBL9260414 0.68 CDK4 (0.42) CYP3A4LMNAKDM4EMAPTALDH1A1
SCHEMBL6321425 0.68 MAPT (0.54) CYP3A4LMNAKDM4EMAPTALDH1A1
SCHEMBL22282703 0.67 MAPT (0.41) CYP3A4LMNAKDM4EMAPTALDH1A1
SCHEMBL28612750 0.63 CYP1A2 (0.36) CYP3A4LMNAKDM4EMAPTALDH1A1
SCHEMBL27215795 0.63 CYP3A4 (0.47) CYP3A4LMNAKDM4EMAPTALDH1A1
SCHEMBL29352420 0.62 CYP3A4 (0.39) CYP3A4LMNAKDM4EMAPTALDH1A1
SCHEMBL56484 0.62 CYP3A4 (0.39) CYP3A4LMNAKDM4EMAPTALDH1A1
SCHEMBL28969118 0.62 CYP3A4 (0.39) CYP3A4LMNAKDM4EMAPTALDH1A1
SCHEMBL57173 0.62 CYP3A4 (0.39) CYP3A4LMNAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066656-A The Pyridione derivatives that amino acid azelidinyl replaces, its preparation method and as the application of medicine ESTEVE LABOR DR (ES) 1992-12-02 CN claimed
WO-2023172701-A2 THERAPEUTIC COMBINATIONS, COMPOSITIONS, AND METHODS FOR DESIGNING AND PRODUCING ENTACTOGENIC MINDSTATES MINDSTATE DESIGN LABS, INC. (US) 2023-09-14 WO disclosed
CN-108912142-A Pyrrolo- benzoxazin ketone compound and its injection and the purposes in antithrombotic 吕烨 2018-11-30 CN disclosed
US-7550500-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-7126010-B2 Benzylcycloalkyl amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-10-24 US disclosed
US-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-03-30 US disclosed
US-6992091-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 US disclosed
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-01-19 US disclosed
US-6984651-B2 Piperidine amides as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA, COMPANY (US) 2006-01-10 US disclosed
WO-1997036907-A9 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSE 1997-12-04 WO disclosed
WO-1997036907-A1 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-09 WO disclosed
EP-0739344-A1 ANTIPARASITIC PYRROLOBENZOXAZINE COMPOUNDS PFIZER INC. (US) 1996-10-30 EP disclosed
EP-0739344-A1 ANTIPARASITIC PYRROLOBENZOXAZINE COMPOUNDS PFIZER INC. (US) 1996-10-30 EP disclosed
WO-1995019363-A1 ANTIPARASITIC PYRROLOBENZOXAZINE COMPOUNDS PFIZER INC. (US) 1995-07-20 WO disclosed
WO-1995019363-A1 ANTIPARASITIC PYRROLOBENZOXAZINE COMPOUNDS PFIZER INC. (US) 1995-07-20 WO disclosed
WO-1993006108-A1 PYRROLOBENZOXAZINE DERIVATIVES AS 5-HT AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-04-01 WO disclosed
WO-1993006108-A1 PYRROLOBENZOXAZINE DERIVATIVES AS 5-HT AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-04-01 WO disclosed
US-4035495-A HYPERTENSIVE AGENTS, CNS DEPRESSANT AYERST MCKENNA AND HARRISON LTD. (CA) 1977-07-12 US disclosed
US-4035495-A HYPERTENSIVE AGENTS, CNS DEPRESSANT AYERST MCKENNA AND HARRISON LTD. (CA) 1977-07-12 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 (2 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-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 CYP3A4 4341/4885LMNA 4339/4885KDM4E 4285/4885
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR3, CCR1, NR1I3 CYP3A4 1062/4885LMNA 3395/4885KDM4E 4209/4885

“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.