SCHEMBL6196201

SCHEMBL6196201

Cc1ccc(N2CCNCC2)c2cc[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 4/20 0.54
▸ HTR6 P50406 4/20 0.54
▸ GOT1 P17174 1/20 0.53
▸ HTR7 P34969 3/20 0.47
▸ HTR3A P46098 5/20 0.45
▸ HTR3E A5X5Y0 2/20 0.45
▸ HTR3B O95264 2/20 0.45
▸ HTR3D Q70Z44 2/20 0.45
▸ HTR3C Q8WXA8 2/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HTR1A P08908 4/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ NCF1 P14598 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 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
SCHEMBL6193481 0.81 HTR6 (0.59) ADRB1HTR6HTR7HTR3AHTR3E
SCHEMBL6194062 0.80 HTR3A (0.53) ADRB1HTR6HTR7HTR3AHTR3E
SCHEMBL22860193 0.78 GOT1 (0.48) GOT1DRD2DRD4DRD3HTR1D
SCHEMBL16156551 0.75 HTR6 (0.65) ADRB1HTR6HTR7HTR3AHTR3E
SCHEMBL10631941 0.72 ADRB1 (0.53) ADRB1HTR6HTR7HTR3AHTR3E
SCHEMBL22542051 0.72 ADRB1 (0.70) ADRB1HTR6HTR7HTR3AHTR3E
SCHEMBL22860562 0.71 HTR6 (0.47) HTR6GOT1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL27907732 0.70 ADRB1 (0.68) ADRB1HTR7HTR3AHTR3EHTR3B
SCHEMBL806532 0.70 CFB (0.40) GOT1CYP1A2CYP2D6HTR2AHSD17B10
SCHEMBL1012802 0.70 ADRB1 (1.00) ADRB1HTR6GOT1HTR7HTR3A

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 ADRB1 28/4885HTR6 38/4885GOT1 2108/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C ADRB1 28/4885HTR6 20/4885GOT1 1499/4885

“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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