SCHEMBL10189997

SCHEMBL10189997

O=C(c1ccccc1)N1CCC(c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.47
MGLL Q99685 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
AKR1C3 P42330 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMO Q99835 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
LSS P48449 1/20 0.40
HSD11B1 P28845 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
SCHEMBL314967 0.95 AKR1C3 (0.45) AVPR1AMGLLMEN1KMT2ALMNA
SCHEMBL316211 0.92 AVPR1A (0.49) AVPR1AMGLLLMNAALDH1A1HSD11B1
SCHEMBL315444 0.89 MGLL (0.51) AVPR1AMGLLALDH1A1CYP3A4TSHR
SCHEMBL315732 0.89 MGLL (0.52) AVPR1AMGLLMEN1KMT2AAKR1C3
SCHEMBL315469 0.88 AKR1C3 (0.41) AVPR1AMGLLMEN1KMT2ALMNA
SCHEMBL314612 0.88 MGLL (0.43) AVPR1AMGLLLMNAAKR1C3TSHR
SCHEMBL316326 0.87 MGLL (0.53) AVPR1AMGLLLMNAKCNK3KCNK9
SCHEMBL315548 0.86 MGLL (0.41) AVPR1AMGLLHSD11B1
SCHEMBL316413 0.86 MGLL (0.42) AVPR1AMGLLAKR1C3KCNK3KCNK9
SCHEMBL10189996 0.86 MAPK11 (0.44) AVPR1AMEN1KMT2AALDH1A1MAPT

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885MGLL 4089/4885MEN1 1081/4885

“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.