SCHEMBL316696

SCHEMBL316696

COCc1nnc(N2CCCNCC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
ADRB1 P08588 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
CHRNB2 P17787 6/20 0.42
CHRNA4 P43681 6/20 0.42
OXTR P30559 6/20 0.42
LTA4H P09960 2/20 0.41
AVPR1A P37288 3/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNA7 P36544 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL10241359 0.90 ADRB1 (0.44) HTR3AADRB1HTR1AHTR1DHTR7
SCHEMBL315784 0.81 OXTR (0.44) OXTRAVPR1ATACR1AVPR2OPRK1
SCHEMBL316872 0.78 OXTR (0.39) HTR2BOXTRAVPR1ATACR1AVPR2
SCHEMBL4619815 0.76 OXTR (0.49) OXTRAVPR1AALDH1A1TACR1AVPR2
SCHEMBL8285404 0.75 ADRB1 (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL315352 0.74 ADRB1 (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14085378 0.74 HTR1A (0.42) HTR1AHTR7OXTRAVPR1A
SCHEMBL5157264 0.73 OXTR (0.55) OXTRAVPR1ATACR1AVPR2OPRK1
SCHEMBL316950 0.73 OXTR (0.44) HTR3AHTR1AHTR6OXTRAVPR1A
SCHEMBL5155787 0.71 AVPR1A (0.57) OXTRAVPR1ATACR1AVPR2OPRK1

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 11 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
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 HTR3A 398/4885HTR3E 247/4885HTR3B 238/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 HTR3A 123/4885HTR3E 177/4885HTR3B 187/4885

“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.