SCHEMBL19251014

SCHEMBL19251014

CCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3N(C)[C@@H](C)c3ccccc3Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ TRPV1 Q8NER1 3/20 0.39
▸ RORC P51449 9/20 0.38
▸ WNT3A P56704 1/20 0.37
▸ RORA P35398 1/20 0.36
▸ NR2E1 Q9Y466 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL19205725 0.89 WNT3A (0.41) RORCWNT3ABCHEACHECYP2D6
SCHEMBL19205723 0.89 WNT3A (0.41) RORCWNT3ABCHEACHECYP2D6
SCHEMBL19205768 0.89 WNT3A (0.41) RORCWNT3ABCHEACHECYP2D6
SCHEMBL19205586 0.87 UTS2R (0.41) RORCNR2E1CYP2D6PSEN1PSEN2
SCHEMBL19205585 0.87 UTS2R (0.41) RORCNR2E1CYP2D6PSEN1PSEN2
SCHEMBL19205595 0.85 KCNJ5 (0.42) KCNJ5KCNJ3TRPV1RORCWNT3A
SCHEMBL19205594 0.85 KCNJ5 (0.42) KCNJ5KCNJ3TRPV1RORCWNT3A
SCHEMBL19205794 0.83 RORC (0.44) KCNJ5KCNJ3TRPV1RORCWNT3A
SCHEMBL18447804 0.83 RORC (0.44) KCNJ5KCNJ3TRPV1RORCWNT3A
SCHEMBL18447805 0.83 RORC (0.44) KCNJ5KCNJ3TRPV1RORCWNT3A

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-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — 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-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC KCNJ5 2919/4885KCNJ3 2749/4885TRPV1 569/4885

“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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