SCHEMBL18549359

SCHEMBL18549359

CC1(C)C(=O)N(C2CC2)c2cc(C(N)=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.40
▸ OPRM1 P35372 5/20 0.38
▸ OPRK1 P41145 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ OPRD1 P41143 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAP4K1 Q92918 2/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL17275720 0.89 F2 (0.36) CYP3A4MAP4K1CYP2D6CYP2C9NFKB1
SCHEMBL17275731 0.88 L3MBTL1 (0.38) CYP3A4CYP2C19HTR7CYP2D6CYP2C9
SCHEMBL16322116 0.88 GAA (0.39) CYP3A4HTR7CYP2D6CYP2C9NFKB1
SCHEMBL16324550 0.86 STING1 (0.40) MAPK14CYP3A4HTR7CYP2D6CYP2C9
SCHEMBL18549318 0.86 HTR7 (0.40) CYP3A4KDM1AMAP4K1HTR7CYP2D6
SCHEMBL18549317 0.86 HTR7 (0.40) CYP3A4KDM1AMAP4K1HTR7CYP2D6
SCHEMBL16322085 0.84 ALDH1A1 (0.49) HTR7POLBTSHRKDM4EALDH1A1
SCHEMBL17138112 0.80 TNKS (0.36) OPRM1OPRK1OPRD1MAP4K1BRD4
SCHEMBL9203524 0.79 KDM4E (0.44) MAPK14OPRM1OPRK1OPRD1HTT
SCHEMBL17275833 0.78 STING1 (0.39) MAPK14CYP3A4MAP4K1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385050-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2019-08-20 — — US disclosed
EP-3145923-B1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-C]PYRIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-01-30 — — EP disclosed
US-20190016719-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-01-17 — — US disclosed
US-10112938-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2018-10-30 — — US disclosed
US-20170057960-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-03-02 — — 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 (4 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-10385050-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives TPH1, TPH2, HTR1A MAPK14 4111/4885OPRM1 124/4885OPRK1 37/4885
US-20190016719-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES TPH1, TPH2, HTR1A MAPK14 4111/4885OPRM1 124/4885OPRK1 37/4885
US-20170057960-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES TPH1, TPH2, HTR1A MAPK14 4111/4885OPRM1 124/4885OPRK1 37/4885
US-10112938-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives TPH1, TPH2, HTR1A MAPK14 4111/4885OPRM1 124/4885OPRK1 37/4885

“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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