SCHEMBL314239

SCHEMBL314239

CCOC(=O)C1CCN(/C(=N/c2ccc(Cl)cc2)SC)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 4/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL314240 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL315619 0.79 OPRM1 (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL315618 0.79 OPRM1 (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8277119 0.78 NOS3 (0.38) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4885177 0.78 NOS3 (0.45) ALDH1A1SMN1; SMN2MAPTNPSR1RAB9A
SCHEMBL14066257 0.78 NOS3 (0.45) ALDH1A1SMN1; SMN2MAPTNPSR1RAB9A
SCHEMBL4885189 0.78 NOS3 (0.45) ALDH1A1SMN1; SMN2MAPTNPSR1RAB9A
SCHEMBL314589 0.77 TSHR (0.75) ALDH1A1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL7985720 0.76 MAPT (0.56) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL1417643 0.76 MAPT (0.56) ALDH1A1MAPTKMT2AGAAPOLB

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 11 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
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

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 ALDH1A1 2031/4885SMN1; SMN2 4519/4885TSHR 1559/4885

“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.