SCHEMBL24966836

SCHEMBL24966836

C[C@H](c1ccccc1)n1nnc(F)c1C(=O)OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PTGIR P43119 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABCB11 O95342 1/20 0.37
GABRA2 P47869 1/20 0.37
JMJD6 Q6NYC1 1/20 0.36
ADORA1 P30542 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 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
SCHEMBL24966739 0.89 GABRA1 (0.34) CARM1PRMT6PTGIRDRD2DRD4
SCHEMBL24966094 0.88 CARM1 (0.39) CARM1PRMT6PTGIRDRD2DRD4
SCHEMBL24966820 0.88 DRD2 (0.42) CARM1PRMT6PTGIRDRD2DRD4
SCHEMBL24966776 0.84 CYP1A2 (0.51) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL24967555 0.84 KDM4E (0.39) CHRNB2CHRNA4CHRNA5CHRNA7HTT
SCHEMBL24966263 0.83 PTGIR (0.41) CARM1PRMT6PTGIRDRD2DRD4
SCHEMBL24966737 0.82 BRD4 (0.41) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL22696688 0.81 GABRA1 (0.43) CARM1PRMT6PTGIRDRD2DRD4
SCHEMBL24966834 0.81 CYP2D6 (0.40) CYP1A2CYP3A4LMNACYP2C9CHRNA7
SCHEMBL24966734 0.79 PDCD1 (0.40) CYP1A2CYP3A4GABRA1GABRB2CYP11B1

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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2023-01-26 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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CYP21A2, CYP11B1, CYP11B2 CARM1 470/4885PRMT6 2235/4885PTGIR 1340/4885

“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.