SCHEMBL2485451

SCHEMBL2485451

CC(c1ccccc1)N1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.73
MC4R P32245 1/20 0.63
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 2/20 0.58
TSHR P16473 2/20 0.58
CYP2C19 P33261 1/20 0.58
LTA4H P09960 1/20 0.55
KCNA5 P22460 2/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
HIF1A Q16665 1/20 0.49
GRM5 P41594 1/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4631202 1.00 CYP2D6 (0.73) CYP2D6MC4RALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL28177303 0.98 CYP2D6 (0.70) CYP2D6MC4RALDH1A1CYP3A4TSHR
SCHEMBL6706135 0.85 CYP2D6 (1.00) CYP2D6MC4RALDH1A1CYP3A4CYP2C19
SCHEMBL7264542 0.85 CYP2D6 (1.00) CYP2D6MC4RALDH1A1CYP3A4CYP2C19
SCHEMBL16226061 0.85 CYP2D6 (1.00) CYP2D6MC4RALDH1A1CYP3A4CYP2C19
SCHEMBL23850144 0.81 CYP2D6 (0.83) CYP2D6MC4RALDH1A1CYP3A4CYP2C19
SCHEMBL30364156 0.81 CYP2D6 (0.83) CYP2D6MC4RALDH1A1CYP3A4CYP2C19
SCHEMBL8983562 0.81 CYP2D6 (0.83) CYP2D6MC4RALDH1A1CYP3A4TSHR
SCHEMBL8983627 0.81 CYP2D6 (0.83) CYP2D6MC4RALDH1A1CYP3A4TSHR
SCHEMBL7097730 0.81 CYP2D6 (0.83) CYP2D6MC4RALDH1A1CYP3A4TSHR

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
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-8993561-B2 Nitrobenzothiazole derivatives, preparation thereof and therapeutic applications thereof SANOFI (FR) 2015-03-31 US disclosed
US-8993561-B2 Nitrobenzothiazole derivatives, preparation thereof and therapeutic applications thereof SANOFI (FR) 2015-03-31 US disclosed
US-8895781-B2 Transition metal-catalyzed C—H amination using unactivated amines GEORGETOWN UNIVERSITY (US) 2014-11-25 US disclosed
US-8895781-B2 Transition metal-catalyzed C—H amination using unactivated amines GEORGETOWN UNIVERSITY (US) 2014-11-25 US disclosed
EP-2643307-B1 NITROBENZOTHIAZOLE DERIVATIVES AND USE THEREOF FOR TREATING TUBERCULOSIS SANOFI SA (FR) 2014-09-17 EP disclosed
US-20130245008-A1 NITROBENZOTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATIONS THEREOF SANOFI (FR) 2013-09-19 US disclosed
US-20130245008-A1 NITROBENZOTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATIONS THEREOF SANOFI (FR) 2013-09-19 US disclosed
WO-2012069743-A1 NITROBENZOTHIAZOLE DERIVATIVES AND USE THEREOF FOR TREATING TUBERCULOSIS SANOFI (FR) 2012-05-31 WO disclosed
EP-2379521-A1 SULFAMIDES AS TRPM8 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2011-10-26 EP disclosed
US-20110213146-A1 Transition Metal-Catalyzed C-H Amination Using Unactivated Amines GEORGETOWN UNIVERSITY (US) 2011-09-01 US disclosed
US-20110213146-A1 Transition Metal-Catalyzed C-H Amination Using Unactivated Amines GEORGETOWN UNIVERSITY (US) 2011-09-01 US disclosed
WO-2010080397-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-15 WO disclosed
WO-2010028159-A2 TRANSITION METAL-CATALYZED C-H AMINATION USING UNACTIVATED AMINES GEORGETOWN UNIVERSITY (US) 2010-03-11 WO disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 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 (5 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-20130245008-A1 NITROBENZOTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATIONS THEREOF NDUFB7, NDUFB3, SDHB CYP2D6 372/4885MC4R 2734/4885ALDH1A1 488/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 CYP2D6 1759/4885MC4R 2888/4885ALDH1A1 144/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 CYP2D6 981/4885MC4R 2121/4885ALDH1A1 89/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 CYP2D6 1759/4885MC4R 2888/4885ALDH1A1 144/4885
US-20110213146-A1 Transition Metal-Catalyzed C-H Amination Using Unactivated Amines AOC3, AOC2, MPO CYP2D6 1764/4885MC4R 1957/4885ALDH1A1 2510/4885

“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.