SCHEMBL2632968

SCHEMBL2632968

CCC(CC)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.47
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
AOC3 Q16853 1/20 0.44
HIF1A Q16665 3/20 0.43
CYP2D6 P10635 2/20 0.43
NFKB1 P19838 2/20 0.43
BLM P54132 2/20 0.42
CASP1 P29466 1/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
IDO2 Q6ZQW0 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL6683975 0.89 NISCH (0.43) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL6679046 0.87 NISCH (0.42) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL19003445 0.87 NISCH (0.42) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL8602132 0.87 NISCH (0.42) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL25487654 0.84 NISCH (0.40) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL27319782 0.84 NISCH (0.40) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL8601500 0.84 NISCH (0.40) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL6527704 0.84 NISCH (0.40) NISCHADRB2ADRB1AOC3HIF1A
Dimethylamine SCHEMBL10508428 0.82 NISCH (0.50) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL2632878 0.82 PNMT (0.55) NISCHCYP2D6NFKB1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US disclosed
EP-4092012-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2022-11-23 EP disclosed
US-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS HOLDINGS, LLC 2020-06-04 US disclosed
EP-2899241-B1 PHOTOPOLYMERIZATION METHOD, INK SET, IMAGE FORMATION METHOD, INK COMPOSITION, AND PHOTOPOLYMERIZATION INITIATOR AND WATER-SOLUBLE BIIMIDAZOLE USED THEREIN FUJIFILM CORP (JP) 2019-08-28 EP disclosed
EP-3483143-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen, Inc (US) 2019-05-15 EP disclosed
US-9765018-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-19 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
CN-1102649-A Piperidines and piperazines MERCK PATENT GMBH (DE) 1995-05-17 CN 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-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 NISCH 282/4885ADRB2 2849/4885ADRB1 2905/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 NISCH 205/4885ADRB2 2128/4885ADRB1 2808/4885
US-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC1, HDAC2 NISCH 3816/4885ADRB2 4703/4885ADRB1 4510/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NISCH 3433/4885ADRB2 381/4885ADRB1 244/4885

“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.