SCHEMBL10127898

SCHEMBL10127898

CN1CCC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ F2 P00734 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL10128066 0.88 ALDH1A1 (0.63) HTR6KDM4EMAPTALDH1A1MAPK1
SCHEMBL10127896 0.88 ALDH1A1 (0.63) HTR6KDM4EMAPTALDH1A1MAPK1
SCHEMBL12868610 0.82 ALDH1A1 (0.70) HTR6KDM4EMAPTALDH1A1MAPK1
SCHEMBL12868685 0.80 ALDH1A1 (0.65) KDM4EMAPTALDH1A1MAPK1HTT
SCHEMBL10127900 0.77 MAPT (0.66) KDM4EMAPTALDH1A1MAPK1HTT
SCHEMBL12868289 0.76 ALDH1A1 (0.56) HTR6KDM4EMAPTALDH1A1MAPK1
SCHEMBL10127902 0.72 ALDH1A1 (0.60) HTR6KDM4EMAPTALDH1A1MAPK1
SCHEMBL10128070 0.72 ALDH1A1 (0.60) HTR6KDM4EMAPTALDH1A1MAPK1
SCHEMBL30945667 0.72 ALDH1A1 (0.64) KDM4EMAPTALDH1A1MAPK1HTT
SCHEMBL12868669 0.72 ALDH1A1 (0.64) KDM4EMAPTALDH1A1MAPK1HTT

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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 — — US disclosed
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 — — 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC HTR6 117/4885KDM4E 2849/4885MAPT 4749/4885

“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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