SCHEMBL4126071

SCHEMBL4126071

C[N]N1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NOTUM Q6P988 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
ALOX15 P16050 1/20 0.46
CCND1 P24385 1/20 0.46
MGLL Q99685 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL30486084 0.84 SIGMAR1 (0.52) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2
SCHEMBL29933410 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2
SCHEMBL1437753 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2
SCHEMBL5467606 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2
SCHEMBL27181453 0.78 SIGMAR1 (0.46) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2
SCHEMBL23051598 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2
SCHEMBL7954957 0.77 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2
SCHEMBL10441142 0.77 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2
SCHEMBL5410892 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2
SCHEMBL11877694 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ANOTUMSMN1; SMN2

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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 ALDH1A1 3130/4885MEN1 2958/4885KMT2A 4326/4885

“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.