SCHEMBL26639786

SCHEMBL26639786

CNCc1ccc(C(C)(F)P)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CYP2C19 P33261 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ KIT P10721 2/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ KCNQ4 P56696 1/20 0.34
▸ KCNQ5 Q9NR82 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ PGR P06401 1/20 0.34

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
SCHEMBL22663449 0.88 KDM1A (0.40) KDM1AMAOAMAOBCYP2C19TRPV4
SCHEMBL297140 0.86 KDM1A (0.50) KDM1AMAOAMAOBCYP2C19TRPV4
SCHEMBL12463911 0.76 DAO (0.39) KDM1AMAOAMAOBTRPV4
SCHEMBL14614919 0.74 KDM1A (0.49) KDM1AMAOAMAOBCYP2C19TRPV4
SCHEMBL6348675 0.72 CYP11B1 (0.42) CYP2C19ADRB2LOXL2CYP3A4KDM4E
SCHEMBL19318505 0.70 PTGES (0.55) KDM1AMAOAMAOBCSF1RKIT
SCHEMBL4550724 0.70 L3MBTL1 (0.49) CYP2C19CYP2C9MAPTCD274KCNH2
SCHEMBL3038971 0.70 GAA (0.45) ADRB2LOXL2CYP3A4KDM4EMAPT
SCHEMBL21491519 0.69 GLS (0.38) KDM1AMAOAMAOBCYP2C19TRPV4
SCHEMBL15498266 0.69 CA2 (0.38) KDM1AMAOAMAOBKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 — — 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-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OGFR KDM1A 4350/4885MAOA 1773/4885MAOB 2044/4885

“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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