Sugi Predict

Sugi Predict / Compounds / SCHEMBL316872

SCHEMBL316872

SCHEMBL316872

COCc1nnc(N2CCNCC2C)n1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 10/20 0.39
▸ AVPR1A P37288 5/20 0.37
▸ HTR2C P28335 6/20 0.36
▸ AVPR2 P30518 2/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 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
SCHEMBL316696 0.78 HTR3A (0.43) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL316099 0.77 OXTR (0.40) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL315784 0.77 OXTR (0.44) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL653028 0.74 HTR3A (0.50) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL335933 0.74 HTR3A (0.50) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL653307 0.74 HTR3A (0.50) HTR2CHTR2AHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5632640 0.73 HTR3A (0.49) HTR2CHTR2AHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5632698 0.73 HTR3A (0.49) HTR2CHTR2AHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5632643 0.73 HTR3A (0.49) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL316950 0.71 OXTR (0.44) OXTRAVPR1ASLC6A2SLC6A4SLC6A3

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 10 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-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-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
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 OXTR 366/4885AVPR1A 533/4885HTR2C 446/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 OXTR 68/4885AVPR1A 1/4885HTR2C 246/4885

“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.