SCHEMBL18682189

SCHEMBL18682189

CC(C)Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.53
▸ DAO P14920 1/20 0.44
▸ SLC6A4 P31645 3/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ MC4R P32245 4/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ ACACB O00763 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL17069243 0.86 SLC6A4 (0.52) PDE2ASLC6A4SLC6A2HTR2AHTR2C
SCHEMBL17069303 0.84 ATM (0.48) PDE2A
SCHEMBL23841644 0.81 DAO (0.44) PDE2ADAOSLC6A4SLC6A2MC4R
SCHEMBL12304037 0.80 IDO1 (0.53) PDE2ADAOSLC6A4SLC6A2MC4R
SCHEMBL29453102 0.80 IDO1 (0.53) PDE2ADAOSLC6A4SLC6A2MC4R
SCHEMBL12844885 0.80 PDE3B (0.45) PDE2ADAOSLC6A4SLC6A2HTR2A
SCHEMBL3208015 0.79 PDE2A (0.49) PDE2ADAOSLC6A4SLC6A2HTR2A
SCHEMBL2669965 0.79 DAO (0.51) PDE2ADAOSLC6A4HTR2AKCNH2
SCHEMBL21102201 0.77 HTR2A (0.40) PDE2ASLC6A4SLC6A2HTR2AHTR2C
SCHEMBL17069232 0.77 PDE2A (0.40) PDE2ASLC6A4SLC6A2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210386065-A1 MIXTURE OF MECTINS AND PYRETHROIDS AND USES THEREOF VALENT BIOSCIENCES LLC 2021-12-16 — — US disclosed
EP-2913325-B1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2021-04-21 — — EP disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 — — US disclosed
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 — — US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 — — 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 (4 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-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF GART, BROX, APRT PDE2A 1599/4885DAO 105/4885SLC6A4 4202/4885
US-20210386065-A1 MIXTURE OF MECTINS AND PYRETHROIDS AND USES THEREOF ACHE, DDT, PTMS PDE2A 625/4885DAO 2520/4885SLC6A4 2725/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 PDE2A 573/4885DAO 3011/4885SLC6A4 1222/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR PDE2A 1204/4885DAO 3087/4885SLC6A4 661/4885

“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.

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