SCHEMBL19001088

SCHEMBL19001088

CC1CN(c2ccc(C(C)(C)C)cc2)CC(C)N1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMO Q99835 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
FFAR2 O15552 1/20 0.42
RBP4 P02753 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPY2R P49146 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 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
SCHEMBL19000979 1.00 MEN1 (0.48) MEN1KMT2ASMOALDH1A1HTT
SCHEMBL19000977 1.00 MEN1 (0.48) MEN1KMT2ASMOALDH1A1HTT
SCHEMBL18436331 0.87 POLB (0.46) MEN1KMT2ASMOALDH1A1MAPK1
SCHEMBL19001052 0.87 EIF2AK4 (0.47) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL19001050 0.87 EIF2AK4 (0.47) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL19012533 0.85 ALDH1A1 (0.48) ALDH1A1HTTNPC1SMN1; SMN2MAPT
SCHEMBL19012346 0.85 ALDH1A1 (0.48) ALDH1A1HTTNPC1SMN1; SMN2MAPT
SCHEMBL19012397 0.85 SMO (0.46) KMT2ASMOALDH1A1HTTNPC1
SCHEMBL18436771 0.85 SMO (0.46) KMT2ASMOALDH1A1HTTNPC1
SCHEMBL19012460 0.85 SMO (0.46) KMT2ASMOALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH MEN1 613/4885KMT2A 325/4885SMO 1/4885

“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.