SCHEMBL23709488

SCHEMBL23709488

CCC(C)c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.54
AGXT P21549 1/20 0.49
HTR2C P28335 7/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47
HTR6 P50406 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR3A P46098 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CACNA2D1 P54289 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL25524602 0.86 PRMT6 (0.49) AGXTKDM4EALDH1A1GFERL3MBTL1
SCHEMBL11955062 0.83 ADRA2C (0.61) ADRA2CAGXTHTR2CHTR1AHTR2A
SCHEMBL783346 0.81 ADRA2C (0.62) ADRA2CAGXTHTR2CHTR1AHTR2A
SCHEMBL6851591 0.81 ADRA2C (0.62) ADRA2CAGXTHTR2CHTR1AHTR2A
SCHEMBL28797389 0.81 ADRA2C (0.62) ADRA2CAGXTHTR2CHTR1AHTR2A
SCHEMBL11984298 0.80 ALDH1A1 (0.52) ADRA2CKDM4EALDH1A1GFERL3MBTL1
SCHEMBL11990304 0.80 ALDH1A1 (0.52) ADRA2CKDM4EALDH1A1GFERL3MBTL1
SCHEMBL19710909 0.79 RORC (0.43) KDM4EALDH1A1GFERL3MBTL1LMNA
SCHEMBL24781211 0.77 HDAC4 (0.39) KDM4EALDH1A1GFERL3MBTL1LMNA
SCHEMBL16019525 0.76 NOTUM (0.56) ADRA2CDRD3KDM4EALDH1A1GFER

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-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS ADRA2C 4227/4885AGXT 3767/4885HTR2C 4652/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS ADRA2C 4521/4885AGXT 2551/4885HTR2C 4427/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ADRA2C 3179/4885AGXT 1706/4885HTR2C 4123/4885

“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.