SCHEMBL315574

SCHEMBL315574

Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.55
CNR2 P34972 4/20 0.55
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
POLB P06746 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
F10 P00742 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
AVPR1A P37288 1/20 0.44
CCR5 P51681 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL315925 0.89 NPY5R (0.44) CNR1CNR2AVPR1ACCR5
SCHEMBL22815724 0.82 POLB (0.56) CNR1CNR2LMNASMN1; SMN2POLB
SCHEMBL8277120 0.80 CNR1 (0.56) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL315737 0.80 NOTUM (0.56) LMNAPOLBKMT2AAVPR1ANPSR1
SCHEMBL8277898 0.80 AVPR1A (0.46) SMN1; SMN2POLBKMT2AAVPR1A
SCHEMBL315110 0.79 LMNA (0.64) LMNAMEN1ALDH1A1KMT2ANPSR1
SCHEMBL5158020 0.78 AVPR1A (0.41) CNR1CNR2AVPR1A
SCHEMBL5436405 0.78 CNR1 (0.55) CNR1CNR2AVPR1A
SCHEMBL5158518 0.78 HTT (0.43) CNR1CNR2LMNASMN1; SMN2CKS1B
SCHEMBL5155966 0.77 AVPR1A (0.48) CNR1CNR2SMN1; SMN2POLBKMT2A

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 13 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
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN 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
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN 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 CNR1 37/4885CNR2 35/4885LMNA 2443/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CNR1 102/4885CNR2 130/4885LMNA 1738/4885

“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.