SCHEMBL15745978

SCHEMBL15745978

CC#Cc1ccc(-c2c(C)cnn2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP11B2 P19099 4/20 0.41
CREBBP Q92793 1/20 0.38
BRD4 O60885 1/20 0.36
EGLN2 Q96KS0 1/20 0.34
PDE2A O00408 1/20 0.31
HIF1A Q16665 1/20 0.31
GRM5 P41594 1/20 0.31
OTUD7B Q6GQQ9 2/20 0.31
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL31306342 0.80 ALDH1A1 (0.41) CYP11B2CREBBPBRD4PDE2AHIF1A
SCHEMBL14996666 0.80 PDE2A (0.41) CYP11B2CREBBPBRD4PDE2AHIF1A
SCHEMBL15745980 0.78 BRAF (0.47) CYP11B2
SCHEMBL21051439 0.77 NPC1 (0.42) CREBBPBRD4MAPT
SCHEMBL27037461 0.77 PDE2A (0.43) CYP11B2CREBBPBRD4PDE2AMAPT
SCHEMBL9911757 0.76 PTGS2 (0.46) CREBBPBRD4PDE2AHIF1AMAPT
SCHEMBL14996605 0.74 PDE2A (0.45) PDE2AMAPT
SCHEMBL14996624 0.74 ALDH1A1 (0.41) CREBBPBRD4PDE2A
SCHEMBL14996574 0.72 PDE2A (0.48) CYP1A2PDE2A
SCHEMBL25615539 0.71 ADRB2 (0.37) CYP11B2CREBBPBRD4PDE2AHIF1A

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-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-02-01 US disclosed
US-9790203-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2017-10-17 US disclosed
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 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-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A CYP1A1 9/4885CYP1A2 8/4885CYP1B1 11/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A CYP1A1 8/4885CYP1A2 10/4885CYP1B1 9/4885

“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.