SCHEMBL4970048

SCHEMBL4970048

CC(C)C(Br)CNc1cccc(C2CCCCC2)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
FEN1 P39748 1/20 0.33
PTPN5 P54829 3/20 0.32
PTPN2 P17706 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL4970037 0.76 CXCR2 (0.38) CYP2D6CYP2C9PTPN5PTPN2
SCHEMBL4971523 0.75 IDO1 (0.34)
SCHEMBL4968645 0.74 GABRA1 (0.48) USP2CYP1A2CYP2D6CYP2C9PTGS1
SCHEMBL4969957 0.74 ALDH1A1 (0.38) CYP2D6SLC6A2SLC6A4KCNH2ADRB2
SCHEMBL4968639 0.72 GABRA1 (0.47)
SCHEMBL4958862 0.70 PTPN5 (0.46) HTR1AFEN1PTPN5PTPN2PTGDR2
SCHEMBL4960398 0.70 PTPN5 (0.46) HTR1AFEN1PTPN5PTPN2PTGDR2
SCHEMBL4959318 0.70 PTPN5 (0.46) HTR1AFEN1PTPN5PTPN2PTGDR2
SCHEMBL4958978 0.70 PTPN5 (0.46) HTR1AFEN1PTPN5PTPN2PTGDR2
SCHEMBL201425 0.70 PTPN5 (0.46) HTR1AFEN1PTPN5PTPN2PTGDR2

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 USP2 866/4885CYP1A2 1140/4885HTR1A 2726/4885

“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.