SCHEMBL2996605

SCHEMBL2996605

CCCC(CCC)NCc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.43
▸ TAAR1 Q96RJ0 3/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL2998659 0.83 TAAR1 (0.56) RIPK1TAAR1TAS1R3TAS1R1TSHR
SCHEMBL11410389 0.79 ALDH1A1 (0.45) RIPK1TAAR1ANPEPKMT2ANPC1
SCHEMBL14650407 0.77 BCHE (0.47) RIPK1TAAR1TSHRANPEPKDM1A
SCHEMBL27803762 0.73 SIGMAR1 (0.52) KMT2ASIGMAR1IDO1MEN1
SCHEMBL11977373 0.72 POLB (0.49) TAS1R3TAS1R1TSHRKMT2AHSD17B10
SCHEMBL21800050 0.72 TAS1R3 (0.38) TAS1R3TAS1R1TSHRKMT2ASIGMAR1
Hydrochloric Acid SCHEMBL10756071 0.72 SIGMAR1 (0.50) KMT2ASIGMAR1L3MBTL1MEN1
SCHEMBL21674165 0.72 TAAR1 (0.50) RIPK1TAAR1TSHRKMT2AHSD17B10
SCHEMBL13243156 0.71 POLB (0.48) TAS1R3TAS1R1TSHRKMT2AHSD17B10
SCHEMBL14630026 0.71 RIPK1 (0.49) RIPK1TAAR1TSHRKDM1AKMT2A

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-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 — — US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 — — 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 RIPK1 2211/4885TAAR1 1133/4885TAS1R3 2274/4885

“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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