SCHEMBL797161

SCHEMBL797161

CCn1cc(CC(C)N)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.69
▸ MAPT P10636 2/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ TBXAS1 P24557 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ PADI4 Q9UM07 1/20 0.47
▸ ADRB1 P08588 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR1E P28566 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HTR6 P50406 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
SCHEMBL31236303 1.00 KMT2A (0.69) KMT2AMAPTCYP19A1TBXAS1ALDH1A1
SCHEMBL13500497 0.87 KMT2A (0.52) KMT2AMAPTCYP19A1TBXAS1ALDH1A1
SCHEMBL4613529 0.83 SCN9A (0.53) KMT2AMAPTCYP19A1TBXAS1ALDH1A1
SCHEMBL5156070 0.83 SCN9A (0.53) KMT2AMAPTCYP19A1TBXAS1ALDH1A1
SCHEMBL5149260 0.83 SCN9A (0.53) KMT2AMAPTCYP19A1TBXAS1ALDH1A1
SCHEMBL1519915 0.82 MAPT (0.69) KMT2AMAPTALDH1A1RECQLPADI4
SCHEMBL1519918 0.82 MAPT (0.69) KMT2AMAPTALDH1A1RECQLPADI4
SCHEMBL4601277 0.82 MAPT (0.69) KMT2AMAPTALDH1A1RECQLPADI4
SCHEMBL8416936 0.80 GPR84 (0.62) KMT2AMAPTALDH1A1RECQLADRB1
SCHEMBL12113330 0.80 GPR84 (0.62) KMT2AMAPTALDH1A1RECQLADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 — — US disclosed
CN-103108871-B 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2014-09-10 — — CN disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 — — US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 — — EP disclosed
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 — — CN disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 — — WO 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 KMT2A 660/4885MAPT 3507/4885CYP19A1 19/4885

“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.

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