SCHEMBL6194062

SCHEMBL6194062

COc1ccc(N2CCNCC2)c2cc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 5/20 0.53
▸ HTR3E A5X5Y0 3/20 0.53
▸ HTR3B O95264 3/20 0.53
▸ HTR3D Q70Z44 3/20 0.53
▸ HTR3C Q8WXA8 3/20 0.53
▸ ADRB1 P08588 2/20 0.53
▸ HTR6 P50406 2/20 0.53
▸ DRD2 P14416 2/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NCF1 P14598 2/20 0.49
▸ HTR7 P34969 2/20 0.48
▸ HTR1A P08908 2/20 0.44
▸ DRD4 P21917 1/20 0.42

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
SCHEMBL6196201 0.80 ADRB1 (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4895338 0.77 HTR6 (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6193481 0.77 HTR6 (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5704985 0.76 GOT1 (0.45) LMNAMAPT
SCHEMBL8109063 0.73 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7535660 0.73 ADRB1 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL593491 0.73 KDM4E (0.42) HTR6MAPT
SCHEMBL8116406 0.70 LMNA (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6637833 0.70 ADRB1 (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL379 0.69 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E HTR3A 4/4885HTR3E 29/4885HTR3B 10/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C HTR3A 7/4885HTR3E 21/4885HTR3B 11/4885

“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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