SCHEMBL15341908

SCHEMBL15341908

Cc1nc2ccc(C(C)C)cc2n1C1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.48
CYP2D6 P10635 2/20 0.48
JAK1 P23458 11/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL15341758 0.92 CCR5 (0.46) CCR5CYP2D6JAK1CCNT1CDK9
SCHEMBL15341825 0.92 CCR5 (0.46) CCR5CYP2D6JAK1CCNT1CDK9
SCHEMBL27120383 0.90 CDK9 (0.49) CCR5CYP2D6CCNT1CDK9KDM4E
SCHEMBL15341809 0.90 KDM4E (0.49) CCR5CYP2D6JAK1CCNT1CDK9
SCHEMBL20132596 0.89 CCR5 (0.43) CCR5CYP2D6JAK1CCNT1CDK9
SCHEMBL21026145 0.88 CDK9 (0.54) CCR5CYP2D6CCNT1CDK9KDM4E
SCHEMBL15341822 0.86 CCR5 (0.42) CCR5CYP2D6JAK1CCNT1CDK9
SCHEMBL15341907 0.84 CDK9 (0.44) CCR5CYP2D6JAK1CCNT1CDK9
SCHEMBL15341823 0.84 CCR5 (0.43) CCR5CYP2D6CCNT1CDK9KDM4E
SCHEMBL15345132 0.83 CYP11B2 (0.49) CCR5CYP2D6JAK1CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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 (3 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR5 3/4885CYP2D6 302/4885JAK1 2302/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR5 3/4885CYP2D6 302/4885JAK1 2302/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR5 3/4885CYP2D6 302/4885JAK1 2302/4885

“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.