SCHEMBL315619

SCHEMBL315619

CCOC(=O)C1(C)CCN(C(=Nc2ccc(Cl)cc2)SC)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
POLB P06746 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
APP P05067 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL315618 1.00 OPRM1 (0.44) OPRM1POLBMEN1KMT2AALDH1A1
SCHEMBL314240 0.79 ALDH1A1 (0.57) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL314239 0.79 ALDH1A1 (0.57) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL315008 0.75 LMNA (0.58) POLBALDH1A1CYP2C19MAPTSMN1; SMN2
SCHEMBL5949770 0.70 SMN1; SMN2 (0.44) OPRM1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL8277119 0.70 NOS3 (0.38) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL4885189 0.69 NOS3 (0.45) ALDH1A1CYP1A2CYP2C19MAPTSMN1; SMN2
SCHEMBL4885177 0.69 NOS3 (0.45) ALDH1A1CYP1A2CYP2C19MAPTSMN1; SMN2
SCHEMBL14066257 0.69 NOS3 (0.45) ALDH1A1CYP1A2CYP2C19MAPTSMN1; SMN2
SCHEMBL8257533 0.68 KMT2A (0.46) POLBMEN1KMT2AALDH1A1CYP1A2

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 5 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
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

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 OPRM1 60/4885POLB 3375/4885MEN1 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.