SCHEMBL1883409

SCHEMBL1883409

Clc1cccc(C=C2CCCCN2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
XDH P47989 2/20 0.41
EGFR P00533 1/20 0.41
CHRM5 P08912 1/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP2C9 P11712 2/20 0.37
ALPI P09923 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
FBP1 P09467 1/20 0.35
CHAT P28329 1/20 0.35
ALOX5 P09917 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL1883407 1.00 CYP1A2 (0.51) CYP1A2PIM1PIM2XDHEGFR
SCHEMBL8910275 0.84 TAAR1 (0.43) CYP1A2PIM1PIM2MAOBPARP10
SCHEMBL1887743 0.81 PIM1 (0.43) PIM1PIM2MAOAMAOBNPC1
SCHEMBL1887744 0.81 PIM1 (0.43) PIM1PIM2MAOAMAOBNPC1
SCHEMBL1888470 0.80 AKR1C3 (0.43) PIM1PIM2EGFRMAOBMAPT
SCHEMBL1888469 0.80 AKR1C3 (0.43) PIM1PIM2EGFRMAOBMAPT
SCHEMBL2258288 0.79 CYP1A2 (0.41) CYP1A2PIM1PIM2MAOAMAOB
SCHEMBL2261719 0.79 CYP1A2 (0.41) CYP1A2PIM1PIM2MAOAMAOB
SCHEMBL11480321 0.78 CYP1A2 (0.40) CYP1A2PIM1PIM2MAOAMAOB
SCHEMBL11480324 0.78 CYP1A2 (0.40) CYP1A2PIM1PIM2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939672-B2 Phenylacetate derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and composition for prevention or treatment of diseases induced by activation of T-type calcium ion channel containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-10 US disclosed
US-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-03-04 US 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 (1 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-20100056545-A1 NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT CACNA1A, CACNA1G, CACNA1H CYP1A2 1092/4885PIM1 4332/4885PIM2 4590/4885

“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.