SCHEMBL7043601

SCHEMBL7043601

CCCc1ccc([C@H](C)N)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
CA2 P00918 1/20 0.45
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
ACACB O00763 2/20 0.42
HTR2A P28223 1/20 0.41
KMT2A Q03164 1/20 0.40
ACACA Q13085 1/20 0.40
PDE2A O00408 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MGLL Q99685 1/20 0.38
PLK1 P53350 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4796978 1.00 ADRB2 (0.48) ADRB2CA2LPLLIPGACACB
Hydrochloric Acid SCHEMBL14121927 0.98 ADRB2 (0.46) ADRB2CA2LPLLIPGACACB
SCHEMBL29342569 0.87 HTR2A (0.50) ADRB2CA2HTR2AKDM4EALDH1A1
SCHEMBL11686889 0.87 HTR2A (0.50) ADRB2CA2HTR2AKDM4EALDH1A1
SCHEMBL29342921 0.87 HTR2A (0.50) ADRB2CA2HTR2AKDM4EALDH1A1
SCHEMBL19174795 0.85 HTR2A (0.57) CA2LPLLIPGHTR2AKDM4E
SCHEMBL15936164 0.84 CA2 (0.47) CA2LPLLIPGACACBHTR2A
SCHEMBL19198643 0.84 CA2 (0.47) CA2LPLLIPGACACBHTR2A
SCHEMBL1009348 0.84 HTR2A (0.60) LPLLIPGHTR2AKDM4EALDH1A1
SCHEMBL9945668 0.84 HTR2A (0.60) LPLLIPGHTR2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030033-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-07-24 US disclosed
EP-0915080-B1 Process for preparing optically active amines and optically active carboxylic acids, and intermediates for preparation YAMAKAWA CHEMICAL IND (JP) 2003-03-26 EP disclosed
US-6342636-B1 REACTION OF ARYLALKYLAMINE WITH NAPHTHYLGLYCOLIC ACID AND DECOMPOSITION A DIASTEROMER SALT TO OBTAIN AN ENANTIOMORPH YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 2002-01-29 US disclosed
EP-0915080-A1 Process for preparing optically active amines and optically active carboxylic acids, and intermediates for preparation YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 1999-05-12 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 (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-10030033-B2 Synthesis of an antiviral compound EIF2AK2, MAVS, SARS1 ADRB2 4726/4885CA2 4738/4885LPL 4137/4885

“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.