SCHEMBL314589

SCHEMBL314589

CCOC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
GLA P06280 1/20 0.66
KMT2A Q03164 2/20 0.64
MGLL Q99685 2/20 0.64
MAPT P10636 1/20 0.63
GAA P10253 1/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 1/20 0.61
RAB9A P51151 1/20 0.61
ATM Q13315 1/20 0.61
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL2436689 0.92 HPGD (0.65) TSHRGLAKMT2AMGLLMAPT
SCHEMBL14409571 0.89 TSHR (0.70) TSHRGLAKMT2AGAAALDH1A1
SCHEMBL4172039 0.86 TSHR (0.67) TSHRGLAKMT2AGAAALDH1A1
SCHEMBL3339277 0.86 TSHR (0.67) TSHRGLAKMT2AGAAALDH1A1
SCHEMBL6973124 0.86 GAA (0.73) TSHRGLAKMT2AGAAALDH1A1
SCHEMBL4598393 0.85 TSHR (0.66) TSHRGLAKMT2AGAAALDH1A1
SCHEMBL315088 0.85 TSHR (0.72) TSHRGLAKMT2AMGLLGAA
SCHEMBL6271671 0.85 HPGD (0.77) TSHRGLAKMT2AALDH1A1SMN1; SMN2
SCHEMBL6504430 0.84 KMT2A (0.74) TSHRGLAKMT2AGAAALDH1A1
SCHEMBL4468382 0.83 GAA (0.64) TSHRGLAKMT2AMGLLGAA

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 12 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
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
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 TSHR 577/4885GLA 3637/4885KMT2A 3968/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 TSHR 1559/4885GLA 1669/4885KMT2A 1134/4885

“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.