SCHEMBL19001064

SCHEMBL19001064

Cc1cc(C)cc(N2CCN(C(C)(C)C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HTR1A P08908 2/20 0.40
PHGDH O43175 1/20 0.39
FFAR4 Q5NUL3 1/20 0.36
ADRB1 P08588 1/20 0.35
KCNH2 Q12809 3/20 0.35
NOTUM Q6P988 1/20 0.34
HSP90AA1 P07900 1/20 0.33
CCR6 P51684 1/20 0.33
RAB9A P51151 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL18284651 0.91 ALDH1A1 (0.41) LMNAALDH1A1MAPTHTR1APHGDH
SCHEMBL10244469 0.81 ADRB1 (0.59) LMNAALDH1A1MAPTADRB1KCNH2
SCHEMBL19012770 0.80 KMT2A (0.41) LMNAALDH1A1MAPTPHGDHKCNH2
SCHEMBL4544738 0.79 ADRB1 (0.53) LMNAALDH1A1MAPTADRB1RAB9A
SCHEMBL12359403 0.76 MAPT (0.54) LMNAALDH1A1MAPTHTR1ARAB9A
SCHEMBL4760152 0.75 MAPT (0.50) LMNAALDH1A1MAPTHTR1APHGDH
SCHEMBL3543974 0.75 MAPT (0.50) LMNAALDH1A1MAPTHTR1APHGDH
SCHEMBL13153256 0.75 ADRB1 (0.58) LMNAALDH1A1MAPTHTR1AADRB1
SCHEMBL1476346 0.73 MAPT (0.62) LMNAALDH1A1MAPTKCNH2RAB9A
SCHEMBL30822482 0.73 ADRA2C (0.66) LMNAALDH1A1MAPTHTR1AADRB1

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 2 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-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 LMNA 4670/4885ALDH1A1 892/4885MAPT 4195/4885

“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.