SCHEMBL2737147

SCHEMBL2737147

CC1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.50
SLC6A4 P31645 10/20 0.50
SLC6A2 P23975 2/20 0.48
HDAC4 P56524 1/20 0.44
CCR2 P41597 1/20 0.42
EPHX2 P34913 1/20 0.41
DRD2 P14416 2/20 0.41
HSD11B1 P28845 2/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 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
SCHEMBL12596028 0.98 SLC6A4 (0.53) SLC6A3SLC6A4SLC6A2HDAC4CCR2
SCHEMBL436499 0.95 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2HDAC4CCR2
SCHEMBL435094 0.90 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2CCR2DRD2
Hydrochloric Acid SCHEMBL29020111 0.86 OPRM1 (0.42) SLC6A3SLC6A4SLC6A2CCR2DRD2
SCHEMBL10602015 0.85 ESR1 (0.42) SLC6A3SLC6A4SLC6A2
SCHEMBL17807530 0.80 ALDH1A1 (0.41) SLC6A3SLC6A4SLC6A2DRD2DRD4
SCHEMBL655680 0.80 DRD2 (0.60) SLC6A3SLC6A4SLC6A2CCR2DRD2
SCHEMBL22815284 0.79 CYP1A2 (0.44) SLC6A3SLC6A4SLC6A2EPHX2DRD2
Hydrochloric Acid SCHEMBL23858321 0.79 DRD2 (0.58) SLC6A3SLC6A4SLC6A2CCR2DRD2
SCHEMBL13452620 0.79 OPRM1 (0.57) DRD2HSD11B1DRD4DRD3

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-20160346384-A1 MODIFIED GLYCOLIPIDS AND METHODS OF MAKING AND USING THE SAME VACCINEX, INC. (US) 2016-12-01 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-9371352-B2 Modified glycolipids and methods of making and using the same VACCINEX, INC. (US) 2016-06-21 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-9139809-B2 Bacterial vaccines with cell wall-associated ceramide-like glycolipids and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-09-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20140227296-A1 MODIFIED GLYCOLIPIDS AND METHODS OF MAKING AND USING THE SAME ALBERT EINSTEIN COLLEGE OF MEDICINE 2014-08-14 US disclosed
US-7355053-B2 1-phenylpyrrolidine-2-one-3-carboxamides BASF AKTIENGESELLSCHAFT (DE) 2008-04-08 US disclosed
US-7335773-B2 Intermediates for imidazonaphthyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
US-7335773-B2 Intermediates for imidazonaphthyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
US-7304077-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-12-04 US disclosed
US-7304077-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-12-04 US disclosed
US-20070238673-A1 Ceramide derivatives as modulators of immunity and autoimmunity ALBERT EINSTEIN COLLEGE OF MEDICINE 2007-10-11 US disclosed
US-20070167481-A1 IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167481-A1 IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 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 (7 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-20140227296-A1 MODIFIED GLYCOLIPIDS AND METHODS OF MAKING AND USING THE SAME CERT1, UGCG, SGMS1 SLC6A3 4830/4885SLC6A4 4836/4885SLC6A2 4750/4885
US-20070167481-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 SLC6A3 2575/4885SLC6A4 2420/4885SLC6A2 3861/4885
US-20070238673-A1 Ceramide derivatives as modulators of immunity and autoimmunity CERS2, UGCG, SGMS1 SLC6A3 4298/4885SLC6A4 4473/4885SLC6A2 3842/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 SLC6A3 3379/4885SLC6A4 3790/4885SLC6A2 3944/4885
US-20160346384-A1 MODIFIED GLYCOLIPIDS AND METHODS OF MAKING AND USING THE SAME CERT1, UGCG, SGMS1 SLC6A3 4830/4885SLC6A4 4836/4885SLC6A2 4750/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SLC6A3 3379/4885SLC6A4 3790/4885SLC6A2 3944/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SLC6A3 3730/4885SLC6A4 4154/4885SLC6A2 4341/4885

“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.