SCHEMBL12259124

SCHEMBL12259124

O=C(NC1CCC(CC2CCC(NC(=O)c3cccc(F)c3)CC2)CC1)c1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.66
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
CCR3 P51677 1/20 0.56
AR P10275 2/20 0.55
HTR2B P41595 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL1116603 0.91 GRM5 (0.77) GRM5L3MBTL1KMT2AMEN1CCR3
SCHEMBL15962709 0.85 GRM5 (0.69) GRM5L3MBTL1KMT2AMEN1CCR3
SCHEMBL23573558 0.85 GRM5 (0.69) GRM5L3MBTL1KMT2AMEN1CCR3
SCHEMBL23573560 0.85 GRM5 (0.69) GRM5L3MBTL1KMT2AMEN1CCR3
SCHEMBL13294374 0.84 GRM5 (0.81) GRM5L3MBTL1KMT2AMEN1HTR2B
SCHEMBL3462086 0.84 GRM5 (0.71) GRM5L3MBTL1KMT2AMEN1CCR3
SCHEMBL1848094 0.83 CRHR1 (0.75) GRM5KMT2AMEN1CCR3AR
SCHEMBL13493595 0.83 CRHR1 (0.75) GRM5KMT2AMEN1CCR3AR
SCHEMBL1848093 0.83 CRHR1 (0.75) GRM5KMT2AMEN1CCR3AR
SCHEMBL10144674 0.82 GRM5 (0.64) GRM5L3MBTL1KMT2AMEN1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20160171150-A1 Chemical Modulators of Pro-Apoptotic BAX and BCL-2 Polypeptides DANA-FARBER CANCER INSTITUTE, INC. 2016-06-16 US disclosed
US-20160171150-A1 Chemical Modulators of Pro-Apoptotic BAX and BCL-2 Polypeptides DANA-FARBER CANCER INSTITUTE, INC. 2016-06-16 US disclosed
US-20110218155-A1 CHEMICAL MODULATORS OF PRO-APOPTOTIC BAX AND BCL-2 POLYPEPTIDES DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-09-08 US disclosed
US-20110218155-A1 CHEMICAL MODULATORS OF PRO-APOPTOTIC BAX AND BCL-2 POLYPEPTIDES DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-09-08 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 GRM5 3808/4885L3MBTL1 1339/4885KMT2A 3471/4885
US-20110218155-A1 CHEMICAL MODULATORS OF PRO-APOPTOTIC BAX AND BCL-2 POLYPEPTIDES BAX, BCL2, BCL2L1 GRM5 3259/4885L3MBTL1 505/4885KMT2A 3136/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA GRM5 4583/4885L3MBTL1 772/4885KMT2A 2501/4885

“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.