SCHEMBL17189672

SCHEMBL17189672

CNC(=O)[C@@H](N)Cc1ccc2[nH]c3cc4ccccc4cc3c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ P2RY12 Q9H244 2/20 0.40
▸ PRCP P42785 1/20 0.39
▸ NLN Q9BYT8 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MC4R P32245 3/20 0.38
▸ MC3R P41968 3/20 0.38
▸ MC1R Q01726 3/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ FCER2 P06734 2/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ TERT O14746 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL12718130 0.83 NPC1 (0.47) LMNAHPGDCTSVCTSLGABRA1
SCHEMBL5557678 0.78 HTR2A (0.57) NLNMC4RMC3RMC1RFCER2
SCHEMBL5966495 0.78 HTR2A (0.57) NLNMC4RMC3RMC1RFCER2
SCHEMBL17189671 0.77 KMT2A (0.51) MAOAP2RY12LMNAHPGDCTSV
Hydrochloric Acid SCHEMBL5556491 0.77 HTR2A (0.55) NLNMC4RMC3RMC1RFCER2
SCHEMBL30107598 0.75 MEN1 (0.51) MAOAP2RY12LMNAHPGDCTSV
SCHEMBL26793178 0.75 MEN1 (0.51) MAOAP2RY12LMNAHPGDCTSV
SCHEMBL21690442 0.75 MEN1 (0.51) MAOAP2RY12LMNAHPGDCTSV
SCHEMBL12718134 0.72 PTPN1 (0.54) CTSL
SCHEMBL22875997 0.70 PDE3B (0.58) MAOALMNAHPGDCTSVCTSL

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-9969773-B2 Polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2018-05-15 — — US disclosed
US-9969773-B2 Polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2018-05-15 — — US disclosed
US-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME NEW YORK UNIVERSITY 2015-10-22 — — US disclosed
US-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME NEW YORK UNIVERSITY 2015-10-22 — — 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-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME PAICS, F12, CYP2C19 MAOA 146/4885P2RY12 1651/4885PRCP 460/4885

“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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