SCHEMBL315393

SCHEMBL315393

Cc1cc(Cl)ccc1-n1c(C)nnc1C1CCN(C(=O)c2ccccc2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
PDE2A O00408 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.42
HSD11B1 P28845 3/20 0.42
PROKR1 Q8TCW9 3/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
P2RX7 Q99572 1/20 0.40

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
SCHEMBL314859 0.95 PDE2A (0.49) PDE2AKDM4EALDH1A1HSD11B1PROKR1
SCHEMBL315257 0.85 BRD4 (0.42) PROKR1PDE4BPDE4D
SCHEMBL8285837 0.82 HSD11B1 (0.51) MGLLPDE2AHSD11B1PROKR1TSHR
SCHEMBL316458 0.80 PROKR1 (0.46) PROKR1PDE4BPDE4D
SCHEMBL8285078 0.80 OXTR (0.47) TP53POLBP2RX7
SCHEMBL8284380 0.76 CNR1 (0.46) PROKR1P2RX7
SCHEMBL314328 0.74 AVPR1A (0.43)
SCHEMBL316547 0.72 AVPR1A (0.43) MGLLPDE2AKDM4EALDH1A1RAB9A
SCHEMBL5010837 0.71 AVPR1A (0.77)
SCHEMBL314800 0.70 AVPR1A (0.43) ALDH1A1

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 claimed
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
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 MGLL 2004/4885PDE2A 2438/4885KDM4E 3377/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MGLL 4089/4885PDE2A 200/4885KDM4E 954/4885

“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.