SCHEMBL19402903

SCHEMBL19402903

C[C@H](c1ccccc1)n1cncc1C(=O)COCC(=O)OC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 7/20 0.56
▸ GABRB2 P47870 6/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP11B1 P15538 2/20 0.56
▸ CYP11B2 P19099 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ GABRA2 P47869 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MAPK1 P28482 1/20 0.53
▸ GPBAR1 Q8TDU6 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CHRM2 P08172 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ CHRM5 P08912 2/20 0.35
▸ THRB P10828 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
SCHEMBL15125311 0.86 GABRA1 (0.70) GABRA1GABRB2CYP1A2LMNACYP3A4
SCHEMBL24966754 0.86 GABRA1 (0.62) GABRA1GABRB2CYP1A2LMNACYP3A4
SCHEMBL24966756 0.84 ALDH1A1 (0.65) GABRA1GABRB2CYP1A2LMNACYP3A4
SCHEMBL23234119 0.84 GABRA1 (0.70) GABRA1GABRB2CYP1A2LMNACYP3A4
SCHEMBL24967304 0.84 ALDH1A1 (0.58) GABRA1GABRB2CYP1A2LMNACYP3A4
SCHEMBL16923372 0.82 GABRA1 (0.64) GABRA1GABRB2CYP1A2LMNACYP3A4
SCHEMBL28191495 0.82 GABRA1 (0.70) GABRA1GABRB2CYP1A2LMNACYP3A4
SCHEMBL28191498 0.82 GABRA1 (0.70) GABRA1GABRB2CYP1A2LMNACYP3A4
SCHEMBL24966919 0.82 ALDH1A1 (0.56) GABRA1GABRB2CYP1A2LMNACYP3A4
SCHEMBL24966924 0.82 ALDH1A1 (0.58) GABRA1GABRB2CYP1A2LMNACYP3A4

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-20170273951-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2017-09-28 — — 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-20170273951-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE OPRM1, OPRK1, OPRL1 GABRA1 62/4885GABRB2 74/4885CYP1A2 16/4885

“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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