SCHEMBL315008

SCHEMBL315008

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CRHBP P24387 1/20 0.48
RECQL P46063 1/20 0.48
CRHR2 Q13324 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
SCHEMBL315111 0.78 NPC1 (0.80) LMNARAB9ASMN1; SMN2MAPTHPGD
SCHEMBL315618 0.75 OPRM1 (0.44) LMNANPSR1SMN1; SMN2CYP2C19MAPT
SCHEMBL315619 0.75 OPRM1 (0.44) LMNANPSR1SMN1; SMN2CYP2C19MAPT
SCHEMBL11363792 0.73 RAB9A (0.55) LMNANPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL18205875 0.70 L3MBTL1 (0.52) LMNANPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL10973104 0.70 ALDH1A1 (0.51) LMNANPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL14119589 0.70 LMNA (0.73) LMNANPSR1SMN1; SMN2MAPTHPGD
SCHEMBL14119932 0.70 LMNA (1.00) LMNANPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL3611228 0.69 OPRM1 (0.41) LMNAALDH1A1KDM4E
SCHEMBL5949770 0.69 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2CYP2C19HPGDGAA

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
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 LMNA 2443/4885NPSR1 258/4885RAB9A 3475/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 LMNA 1738/4885NPSR1 172/4885RAB9A 591/4885

“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.