SCHEMBL2348798

SCHEMBL2348798

CCCCc1nnc(OC2CCN(C)CC2)cc1-c1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
TSHR P16473 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KIT P10721 2/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
NPM1 P06748 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
FGR P09769 1/20 0.41

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 SCHEMBL2383223 0.99 NPC1 (0.41) NPC1TSHRRAB9AMAPTUSP2
Hydrochloric Acid SCHEMBL2351828 0.88 TSHR (0.42) NPC1TSHRRAB9AMAPTUSP2
SCHEMBL2352457 0.87 PRMT5 (0.42) NPC1RAB9AHTR2CHTR2BALK
SCHEMBL2352205 0.86 PDE4D (0.49) NPC1PRMT5
Hydrochloric Acid SCHEMBL2362460 0.86 PRMT5 (0.42) NPC1RAB9AHTR2CHTR2BALK
SCHEMBL16927564 0.86 HTR2C (0.43) HTR2CHTR2BCHRNA7NEK2
SCHEMBL2379770 0.85 TGFBR1 (0.40) MAPTKITABL1LCKNPM1
Hydrochloric Acid SCHEMBL2352102 0.84 TGFBR1 (0.40) MAPTKITABL1LCKNPM1
SCHEMBL2353566 0.83 TRPV1 (0.45) KITABL1LCKNPM1CSF1R
SCHEMBL2347314 0.82 PRMT5 (0.43) NPC1RAB9AHTR2CHTR2BALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 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 (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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 NPC1 378/4885TSHR 3321/4885RAB9A 1627/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 NPC1 176/4885TSHR 3965/4885RAB9A 1362/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 NPC1 176/4885TSHR 3965/4885RAB9A 1362/4885

“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.