SCHEMBL297012

SCHEMBL297012

O=C1CCCN1C1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.45
▸ HTR2B P41595 5/20 0.45
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ TP53 P04637 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ HTR2A P28223 2/20 0.34

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 SCHEMBL1456315 0.98 HTR2C (0.44) HTR2CHTR2BNOS3NOS1KDM5A
SCHEMBL1420634 0.94 HTR2C (0.44) HTR2CHTR2BNOS3NOS1KDM5A
Hydrochloric Acid SCHEMBL3450852 0.92 HTR2C (0.43) HTR2CHTR2BNOS3NOS1KDM5A
SCHEMBL2853069 0.92 HTR2C (0.43) HTR2CHTR2BNOS3NOS1KDM5A
SCHEMBL20830070 0.91 HTR2C (0.40) HTR2CHTR2BNOS3NOS1KDM5A
Hydrochloric Acid SCHEMBL21597931 0.91 HTR2C (0.42) HTR2CHTR2BNOS3NOS1TP53
Acetic Acid SCHEMBL16992499 0.90 KDM5A (0.42) HTR2CHTR2BKDM5ATP53NPY5R
SCHEMBL25408273 0.89 NOS3 (0.46) HTR2CHTR2BNOS3NOS1TP53
SCHEMBL5900855 0.89 HTR2C (0.39) HTR2CHTR2BCHRNB2CHRNB4CHRNA3
SCHEMBL13950159 0.89 HTR2C (0.39) HTR2CHTR2BCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 — — EP claimed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 — — EP claimed
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 — — EP claimed
US-5739149-A TREATING ASTHMA ZENECA LIMITED (GB) 1998-04-14 — — US claimed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 — — EP claimed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 — — EP claimed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 — — EP claimed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 — — WO claimed
EP-4714446-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2026-03-25 — — EP disclosed
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-04-10 — — US disclosed
EP-4506344-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF Bebetter Med Inc. (CN) 2025-02-12 — — EP disclosed
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF BEBETTER MED INC. (CN) 2025-01-30 — — US disclosed
EP-4486390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF Terremoto Biosciences, Inc (US) 2025-01-08 — — EP disclosed
EP-4413985-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2024-08-14 — — EP disclosed
US-5559131-A ANTAGONISTS OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 — — US disclosed
US-5559132-A ANTAGONIST OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 — — US disclosed
EP-0667858-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-08-23 — — EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 — — WO disclosed
CN-1094723-A Carboxamide derivative ZENECA LTD (GB) 1994-11-09 — — CN disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 — — 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 (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-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF AKT1, AKT1S1, AKT2 HTR2C 3770/4885HTR2B 3561/4885NOS3 2217/4885
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF CYP46A1, CYP4A22, CYP2C19 HTR2C 216/4885HTR2B 293/4885NOS3 2200/4885

“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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