SCHEMBL4518387

SCHEMBL4518387

CCc1cccc(C2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.62
SIGMAR1 Q99720 2/20 0.53
SLC18A3 Q16572 1/20 0.53
QDPR P09417 1/20 0.46
HTR6 P50406 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
NMT1 P30419 1/20 0.41
GBA1 P04062 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40

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 SCHEMBL30946017 0.98 HTR2C (0.63) HTR2CSIGMAR1SLC18A3QDPRHTR6
SCHEMBL17308329 0.90 HTR2C (0.50) HTR2CHTR6DRD2DRD3
SCHEMBL22805478 0.87 SIGMAR1 (0.47) HTR2CSIGMAR1SLC6A2SLC6A4DRD2
SCHEMBL18616370 0.87 HTR2C (0.62) HTR2CSIGMAR1SLC18A3QDPRSLC6A2
SCHEMBL11828822 0.84 HTR2C (0.55) HTR2CSIGMAR1SLC18A3QDPRDRD2
SCHEMBL18903999 0.83 HTR2C (0.54) HTR2CSIGMAR1SLC18A3QDPRHTR6
SCHEMBL7624146 0.83 HTR2C (0.57) HTR2CSIGMAR1SLC18A3QDPRHTR6
SCHEMBL4404411 0.83 HTR2C (0.57) HTR2CSIGMAR1SLC18A3QDPRHTR6
SCHEMBL22567480 0.83 HTR2C (0.57) HTR2CSIGMAR1SLC18A3QDPRHTR6
SCHEMBL5666205 0.82 DRD2 (0.49) SIGMAR1DRD2DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
EP-0007067-A1 Phenylpiperidine derivatives, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-01-23 EP 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 (4 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS HTR2C 4174/4885SIGMAR1 566/4885SLC18A3 1331/4885
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A HTR2C 4487/4885SIGMAR1 1933/4885SLC18A3 1273/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 HTR2C 4716/4885SIGMAR1 4436/4885SLC18A3 4334/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK HTR2C 2995/4885SIGMAR1 2760/4885SLC18A3 3774/4885

“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.