SCHEMBL8285404

SCHEMBL8285404

Cc1nnc(N2CCNCC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.56
HTR3A P46098 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
LTA4H P09960 2/20 0.48
MAPKAPK2 P49137 4/20 0.47
CETP P11597 3/20 0.46
TRPA1 O75762 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
SOS1 Q07889 1/20 0.43
BRD4 O60885 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43

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 SCHEMBL315352 0.99 ADRB1 (0.54) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL9073266 0.85 ADRB1 (0.53) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL5155966 0.80 AVPR1A (0.48) TRPA1TRPM8BRD4AVPR1A
SCHEMBL4643814 0.80 BRD4 (0.50) CETPTRPA1TRPM8BRD4AVPR1A
SCHEMBL8256810 0.80 AVPR1A (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL5156223 0.79 AVPR1A (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL315285 0.79 AVPR1A (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8277898 0.78 AVPR1A (0.46) TRPA1TRPM8BRD4AVPR1A
SCHEMBL315251 0.78 TRPA1 (0.46) TRPA1TRPM8BRD4
Hydrochloric Acid SCHEMBL5443700 0.77 AVPR1A (0.46) TRPA1TRPM8BRD4AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 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 (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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ADRB1 280/4885HTR3A 123/4885HTR3E 177/4885

“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.