SCHEMBL23624350

SCHEMBL23624350

CN(CCN1CCCC1)C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 6/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.54
▸ GABRA2 P47869 1/20 0.53
▸ GABRB2 P47870 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ TSPO P30536 2/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ ALB P02768 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SLC2A2 P11168 2/20 0.44

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
SCHEMBL23624274 0.82 ALDH1A1 (0.56) SLC2A1ALDH1A1GABRA2GABRB2TSPO
SCHEMBL23624383 0.80 TSPO (0.64) SLC2A1MEN1KMT2AALDH1A1GABRA2
SCHEMBL23624321 0.80 TSPO (0.63) SLC2A1MEN1KMT2AALDH1A1GABRA2
SCHEMBL23624214 0.76 TSPO (0.81) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL23624259 0.76 TSPO (0.80) SLC2A1MEN1KMT2AGABRA2GABRB2
SCHEMBL16261619 0.75 SLC2A1 (1.00) SLC2A1MEN1KMT2AGABRA2GABRB2
SCHEMBL23624227 0.72 SLC2A1 (0.62) SLC2A1GABRA2GABRB2KDM4EHTT
SCHEMBL23624592 0.72 TSPO (0.60) SLC2A1ALDH1A1GABRA2GABRB2TSPO
SCHEMBL11069376 0.71 TSPO (0.75) ALDH1A1GABRA2GABRB2KDM4ETSPO
SCHEMBL23624118 0.69 SLC2A1 (0.54) SLC2A1MEN1KMT2AALDH1A1GABRA2

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-20210206771-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-07-08 — — 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-20210206771-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PMP22, GABBR1, MECP2 SLC2A1 3422/4885MEN1 1807/4885KMT2A 1271/4885

“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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