SCHEMBL19130451

SCHEMBL19130451

CC(C)c1cccc(C(F)(F)F)c1N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
GABRA1 P14867 3/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 2/20 0.38
GABRB2 P47870 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 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
SCHEMBL25722706 0.82 TDP1 (0.40) P2RX7CYP1A2CYP3A4TSHRHIF1A
SCHEMBL23351603 0.80 P2RX7 (0.40) P2RX7CYP1A2SOS1
SCHEMBL24497512 0.80 SMN1; SMN2 (0.40) P2RX7SLC6A2ITGB2ICAM1ITGAL
SCHEMBL59823 0.80 GABRA1 (0.50) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL84477 0.76 P2RX7 (0.50) P2RX7GABRA1GABRG2GABRB3CYP1A2
SCHEMBL25005922 0.75 HSD11B1 (0.38) P2RX7CYP1A2CYP3A4TSHRHIF1A
SCHEMBL24012474 0.75 GABRA1 (0.41) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL20329554 0.75 GABRA1 (0.36) P2RX7GABRA1CYP1A2CYP3A4TSHR
SCHEMBL13453951 0.75 P2RX7 (0.50) P2RX7GABRA1GABRG2GABRB3CYP1A2
SCHEMBL12868087 0.75 P2RX7 (0.50) P2RX7GABRA1GABRG2GABRB3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 US disclosed
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2019-10-24 US disclosed
US-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines UNIVERSITY COLLEGE DUBLIN (IE) 2019-02-05 US disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 US disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 US disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 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 (6 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-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines ADH1C, ADH1A, ADH5 P2RX7 3544/4885GABRA1 1468/4885GABRG2 2472/4885
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 P2RX7 3611/4885GABRA1 2064/4885GABRG2 4029/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 P2RX7 3611/4885GABRA1 2064/4885GABRG2 4029/4885
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 P2RX7 3611/4885GABRA1 2064/4885GABRG2 4029/4885
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES ADH1C, ADH1A, ADH5 P2RX7 4030/4885GABRA1 1569/4885GABRG2 2724/4885
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 P2RX7 3611/4885GABRA1 2064/4885GABRG2 4029/4885

“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.