SCHEMBL19797774

SCHEMBL19797774

CC(C)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.61
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ PYCR1 P32322 1/20 0.49
▸ HRH3 Q9Y5N1 4/20 0.46
▸ OPRK1 P41145 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MMP3 P08254 1/20 0.43

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
SCHEMBL3635237 0.87 TSHR (0.54) TAAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL31612527 0.82 CYP2C19 (0.55) OPRK1ALDH1A1KCNH2SIGMAR1CNR2
SCHEMBL3160936 0.80 MAOB (0.52) TAAR1OPRK1ALDH1A1KCNH2SIGMAR1
SCHEMBL12124877 0.77 TSHR (0.50) HRH3OPRK1ALDH1A1CYP1A2CYP2D6
SCHEMBL12902355 0.76 TAAR1 (0.75) TAAR1HDAC1PYCR1HRH3ALDH1A1
SCHEMBL5915632 0.76 TAAR1 (1.00) TAAR1HDAC3HDAC1HDAC2PYCR1
SCHEMBL10746744 0.75 AOC3 (0.47) HRH3OPRK1ALDH1A1CYP1A2CYP2D6
SCHEMBL629059 0.74 MAPT (0.47) HDAC3HDAC6PYCR1ALDH1A1
SCHEMBL16312132 0.74 SLC6A2 (0.48) TAAR1PYCR1ALDH1A1CYP1A2CYP2D6
SCHEMBL16312137 0.74 PYCR1 (0.46) TAAR1HDAC3HDAC6PYCR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385004-B2 Process and intermediates for the preparation of NEP inhibitors NOVARTIS AG (CH) 2019-08-20 — — US disclosed
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 — — US disclosed
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 — — 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 (2 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-10385004-B2 Process and intermediates for the preparation of NEP inhibitors MME, ACE, REN TAAR1 1932/4885HDAC3 1435/4885HDAC4 1940/4885
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS MME, ACE, REN TAAR1 1932/4885HDAC3 1435/4885HDAC4 1940/4885

“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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