SCHEMBL315111

SCHEMBL315111

CCOC(=O)C1CCN(C(=S)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.80
KDM4E B2RXH2 1/20 0.78
ALDH1A1 P00352 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
HPGD P15428 1/20 0.72
MDM2 Q00987 1/20 0.62
TDP1 Q9NUW8 2/20 0.60
GAA P10253 3/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 1/20 0.58
RAB9A P51151 1/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL28363727 0.81 TDP1 (0.83) NPC1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL314589 0.79 TSHR (0.75) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL28363609 0.79 MEN1 (0.62) NPC1ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL28363726 0.78 NPC1 (0.80) NPC1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL315008 0.78 LMNA (0.58) NPC1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL28363606 0.78 TDP1 (0.78) NPC1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL6093231 0.77 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL20827306 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAAPOLBMAPT
SCHEMBL5159206 0.77 SMN1; SMN2 (0.57) NPC1ALDH1A1SMN1; SMN2HPGDTDP1
SCHEMBL14413287 0.77 TDP1 (0.76) NPC1KDM4EALDH1A1SMN1; SMN2HPGD

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 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
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 NPC1 403/4885KDM4E 3377/4885ALDH1A1 2650/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 NPC1 3528/4885KDM4E 954/4885ALDH1A1 2031/4885

“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.