SCHEMBL17636899

SCHEMBL17636899

CC(C)c1cccc(C(C)C)c1NCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
GABRA1 P14867 3/20 0.48
LMNA P02545 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB2 P47870 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 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
SCHEMBL812723 0.79 GABRA1 (0.52) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL6180997 0.77 GABRA1 (0.50) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL8750879 0.76 SMN1; SMN2 (0.47) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL28914676 0.75 GABRA1 (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL10037121 0.75 GABRA1 (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL28370355 0.75 GABRA1 (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL3116485 0.75 GABRA1 (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL3206761 0.75 GABRA1 (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL22767461 0.75 GABRA1 (0.54) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL8159500 0.75 SMN1; SMN2 (0.50) SMN1; SMN2GABRA1LMNAGABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305843-A1 SOLID DRUG FORM OF N-(2,6-BIS(1-METHYLETHYL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL)CYCLOPENTYL)METHYL)UREA HYDROCHLORIDE AND COMPOSITIONS, METHODS AND KITS RELATED THERETO MILLENDO THERAPEUTICS, INC. 2017-10-26 US disclosed
US-9546135-B2 Solid drug form of N-(2,6-bis(1-methylethyl)phenyl)-N′-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea hydrochloride and compositions, methods and kits related thereto MILLENDO THERAPEUTICS, INC. (US) 2017-01-17 US disclosed
US-20160090354-A1 SOLID DRUG FORM OF N-(2,6-BIS(1-METHYLETHYL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL)CYCLOPENTYL)METHYL)UREA HYDROCHLORIDE AND COMPOSITIONS, METHODS AND KITS RELATED THERETO THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-03-31 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 (2 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-20160090354-A1 SOLID DRUG FORM OF N-(2,6-BIS(1-METHYLETHYL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL)CYCLOPENTYL)METHYL)UREA HYDROCHLORIDE AND COMPOSITIONS, METHODS AND KITS RELATED THERETO ATR, BAP1, ATRIP SMN1; SMN2 3652/4885GABRA1 1296/4885LMNA 3482/4885
US-20170305843-A1 SOLID DRUG FORM OF N-(2,6-BIS(1-METHYLETHYL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL)CYCLOPENTYL)METHYL)UREA HYDROCHLORIDE AND COMPOSITIONS, METHODS AND KITS RELATED THERETO ATR, BAP1, ATRIP SMN1; SMN2 3652/4885GABRA1 1296/4885LMNA 3482/4885

“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.