SCHEMBL1653123

SCHEMBL1653123

Cc1ccc(OC(=O)N2CCC(n3ccc(-c4ccccc4)n3)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPY2R P49146 2/20 0.39
EPHX1 P07099 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TNK2 Q07912 1/20 0.37

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
SCHEMBL10040619 0.83 GAA (0.46) GAANPC1RAB9AKMT2ALMNA
SCHEMBL10040594 0.82 DRD2 (0.47) GAANPC1RAB9AKMT2ALMNA
SCHEMBL1781995 0.78 USP30 (0.53) KMT2AMEN1KDM4E
SCHEMBL30674443 0.77 GAA (0.62) GAANPC1RAB9AKMT2ALMNA
SCHEMBL12231386 0.77 ACACB (0.44) KMT2ALMNANPSR1KDM4EEPHX1
SCHEMBL10040536 0.77 SPR (0.45) GAANPC1RAB9AKMT2ALMNA
SCHEMBL10070514 0.77 HTT (0.56) GAAKMT2ALMNASMN1; SMN2MEN1
SCHEMBL12784144 0.76 KDM2A (0.44) GAANPC1RAB9ALIPE
Hydrochloric Acid SCHEMBL1653033 0.76 SPR (0.45) GAANPC1RAB9AKMT2ALMNA
SCHEMBL12782191 0.76 KDM5C (0.46) LIPE

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564849-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH PAINS IN URINARY ORGANS Astellas Pharma Inc. (JP) 2013-03-06 EP claimed
US-20130030006-A1 AGENT FOR PREVENTING OR TREATING DISEASES ACCOMPANIED BY URINARY PAIN ASTELLAS PHARMA INC. (JP) 2013-01-31 US claimed
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP claimed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US claimed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US claimed
EP-2308869-A1 AZOLE COMPOUND Astellas Pharma Inc. (JP) 2011-04-13 EP claimed
EP-2564849-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH PAINS IN URINARY ORGANS Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20130030006-A1 AGENT FOR PREVENTING OR TREATING DISEASES ACCOMPANIED BY URINARY PAIN ASTELLAS PHARMA INC. (JP) 2013-01-31 US disclosed
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
EP-2308869-A1 AZOLE COMPOUND Astellas Pharma Inc. (JP) 2011-04-13 EP disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 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 (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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 GAA 3393/4885NPC1 2134/4885RAB9A 2756/4885
US-20130030006-A1 AGENT FOR PREVENTING OR TREATING DISEASES ACCOMPANIED BY URINARY PAIN FAAH, FAAH2, PTGS1 GAA 3181/4885NPC1 2694/4885RAB9A 3335/4885

“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.