SCHEMBL9926517

SCHEMBL9926517

Cc1cc(Cl)ccc1CN1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 2/20 0.66
POLB P06746 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.50
CHKA P35790 1/20 0.49
CYP2A13 Q16696 1/20 0.47
MC4R P32245 1/20 0.47
OPRM1 P35372 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTR6 P50406 2/20 0.46
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H2 P55055 1/20 0.46

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
SCHEMBL18753850 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBTDP1SIGMAR1
SCHEMBL2656580 0.85 KDM4E (0.88) ALDH1A1KDM4EPOLBTDP1SIGMAR1
SCHEMBL15417767 0.83 TDP1 (0.56) ALDH1A1POLBTDP1LMNASMN1; SMN2
SCHEMBL18753928 0.82 KDM4E (0.64) ALDH1A1KDM4EPOLBTDP1SIGMAR1
SCHEMBL10520780 0.82 CYP2A13 (0.46) ALDH1A1KDM4EPOLBTDP1SIGMAR1
SCHEMBL12120512 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBTDP1SIGMAR1
SCHEMBL4243681 0.82 CYP2A13 (0.71) KDM4ETDP1LMNACYP2A13NPSR1
SCHEMBL4758225 0.80 NR1H2 (0.64) ALDH1A1KDM4EPOLBTDP1LMNA
SCHEMBL21551100 0.80 KDM4E (0.49) ALDH1A1KDM4EPOLBTDP1HTR6
SCHEMBL22422494 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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 (1 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 ALDH1A1 4361/4885KDM4E 983/4885POLB 2312/4885

“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.