SCHEMBL314441

SCHEMBL314441

Cc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.58
KCNH2 Q12809 1/20 0.46
BRD4 O60885 3/20 0.45
KDM4E B2RXH2 1/20 0.43
HPGD P15428 3/20 0.41
ALOX12 P18054 2/20 0.41
MAPT P10636 2/20 0.41
HTR6 P50406 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR3A P46098 1/20 0.41
SLC9A3 P48764 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPKAPK2 P49137 1/20 0.39

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 SCHEMBL314895 0.99 AVPR1A (0.57) AVPR1AKCNH2BRD4KDM4EHPGD
SCHEMBL10189924 0.85 AVPR1A (0.59) AVPR1AALDH1A1SLC9A3KMT2A
SCHEMBL314800 0.81 AVPR1A (0.43) AVPR1AKCNH2BRD4ALDH1A1
SCHEMBL8284390 0.79 AVPR1A (0.42) AVPR1AKCNH2BRD4
SCHEMBL316950 0.79 OXTR (0.44) AVPR1AKCNH2KDM4EHPGDMAPT
SCHEMBL8284415 0.77 P2RX7 (0.43) AVPR1AKCNH2KDM4EHPGDMAPT
Hydrochloric Acid SCHEMBL315225 0.76 P2RX7 (0.43) AVPR1AKCNH2HTR6NPSR1ALDH1A1
SCHEMBL27831816 0.76 SETDB1 (0.42) AVPR1AKCNH2BRD4HTR6
SCHEMBL25301016 0.76 AVPR1A (0.56) AVPR1AKCNH2BRD4SLC9A3
SCHEMBL25296222 0.76 AVPR1A (0.56) AVPR1AKCNH2BRD4SLC9A3

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 16 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-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 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 (3 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 AVPR1A 533/4885KCNH2 3025/4885BRD4 213/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885KCNH2 78/4885BRD4 773/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885KCNH2 62/4885BRD4 1989/4885

“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.