SCHEMBL10200716

SCHEMBL10200716

CC(C)(C)NC(=O)N1CCN(c2ccc3c(n2)OCCNC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
SSTR4 P31391 12/20 0.37
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
RET P07949 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
Hydrochloric Acid SCHEMBL2110822 0.99 KDM4E (0.45) KDM4EPOLBGAANPC1RAB9A
SCHEMBL2112056 0.85 DGAT1 (0.40) SSTR4GPR119RETTRPV1
SCHEMBL2110262 0.85 MAP4K4 (0.42) KDM4EGAA
SCHEMBL2111238 0.84 L3MBTL1 (0.39) RAB9A
SCHEMBL2110167 0.83 MAP4K4 (0.48) GPR119
SCHEMBL2111022 0.83 RET (0.39) KDM4EGPR119RET
SCHEMBL2111122 0.82 MAP4K4 (0.45) KDM4EPOLBNPC1RAB9A
SCHEMBL2111384 0.80 CKS1B (0.48) GPR119
Trifluoroacetic Acid SCHEMBL2111857 0.80 HRH4 (0.45) KDM4E
SCHEMBL10200047 0.79 HTR3A (0.42) KDM4E

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-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B KDM4E 2572/4885POLB 4618/4885GAA 4275/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B KDM4E 2572/4885POLB 4618/4885GAA 4275/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B KDM4E 2572/4885POLB 4618/4885GAA 4275/4885

“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.