SCHEMBL15723716

SCHEMBL15723716

C=C1Nc2cc(C)ccc2C1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRM1 P11229 1/20 0.31
PTPN7 P35236 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25758624 1.00 BRD4 (0.33) BRD4CREBBPCHRNB2CHRNA4TP53
SCHEMBL15723674 0.86 MAPT (0.39) CHRNB2CHRNA4TP53MAPTKDM4E
SCHEMBL25758634 0.86 MAPT (0.39) CHRNB2CHRNA4TP53MAPTKDM4E
SCHEMBL25758574 0.81 CHRM1 (0.35) CHRNB2CHRNA4TP53MAPTCHRM1
SCHEMBL25758635 0.81 MAOB (0.36) CHRNB2CHRNA4
SCHEMBL25758616 0.81 CHRM1 (0.35) CHRNB2CHRNA4TP53MAPTCHRM1
SCHEMBL24019918 0.79 MAPT (0.46) BRD4CREBBPTP53MAPTKDM4E
SCHEMBL18854108 0.79 MAPT (0.46) BRD4CREBBPTP53MAPTKDM4E
SCHEMBL15723713 0.79 SNCA (0.37) TP53MAPTKDM4EALDH1A1CHRM1
SCHEMBL15723614 0.77 HTR5A (0.36) MAPTKDM4EALDH1A1

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL BRD4 2921/4885CREBBP 2433/4885CHRNB2 4856/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN BRD4 2077/4885CREBBP 2977/4885CHRNB2 4881/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN BRD4 2077/4885CREBBP 2977/4885CHRNB2 4881/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV BRD4 3186/4885CREBBP 2437/4885CHRNB2 4841/4885

“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.