SCHEMBL9800237

SCHEMBL9800237

CN1C(=O)CCC(c2ccccc2)C1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
TSHR P16473 2/20 0.69
SRD5A1 P18405 3/20 0.51
CYP19A1 P11511 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
BRD4 O60885 3/20 0.42
CTRB1 P17538 1/20 0.41
SRD5A2 P31213 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
THPO P40225 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
SCHEMBL8820669 0.83 CYP19A1 (0.49) KMT2ATSHRSRD5A1CYP19A1MEN1
Phensuximide SCHEMBL35334 0.81 KMT2A (1.00) KMT2ATSHRSRD5A1CYP19A1BRD4
Phensuximide SCHEMBL35333 0.81 KMT2A (1.00) KMT2ATSHRSRD5A1CYP19A1BRD4
SCHEMBL7834022 0.80 TSHR (0.49) KMT2ATSHRSRD5A1DDB1CRBN
SCHEMBL13495329 0.78 KMT2A (0.46) KMT2ATSHRSRD5A1CYP19A1DDB1
SCHEMBL14560485 0.77 CYP19A1 (0.56) KMT2ATSHRSRD5A1CYP19A1CHRM2
SCHEMBL718903 0.76 SRD5A1 (0.45) KMT2ATSHRSRD5A1DDB1CRBN
SCHEMBL721961 0.75 KMT2A (0.42) KMT2ATSHRSRD5A1DDB1CRBN
SCHEMBL30955826 0.75 ADRB1 (0.44) KMT2ATSHRCYP19A1DDB1CRBN
SCHEMBL14560486 0.75 CYP19A1 (0.57) KMT2ATSHRCYP19A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-09-21 US disclosed
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US disclosed
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 US disclosed
US-7452905-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-11-18 US disclosed
US-7452905-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-11-18 US disclosed
EP-0417143-A1 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1991-03-20 EP disclosed
WO-1989011856-A2 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1989-12-14 WO 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-20090048236-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 KMT2A 2141/4885TSHR 1414/4885SRD5A1 1600/4885
US-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS RAB1A, SOS1, IQGAP1 KMT2A 4124/4885TSHR 4233/4885SRD5A1 1376/4885

“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.