SCHEMBL23624600

SCHEMBL23624600

O=C(O)CC1CCN(C(O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 1/20 0.53
▸ GABRB2 P47870 1/20 0.53
▸ SLC2A1 P11166 8/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NR1I2 O75469 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ TSPO P30536 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TACR1 P25103 1/20 0.45

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
SCHEMBL23624118 0.85 SLC2A1 (0.54) GABRA2GABRB2SLC2A1MEN1KMT2A
SCHEMBL23624271 0.83 GABRA2 (0.74) GABRA2GABRB2SLC2A1MEN1KMT2A
SCHEMBL8150 0.75 GABRA2 (0.70) GABRA2GABRB2SLC2A1MEN1KMT2A
SCHEMBL10999904 0.73 GABRA2 (0.60) GABRA2GABRB2SLC2A1MEN1KMT2A
SCHEMBL23624274 0.72 ALDH1A1 (0.56) GABRA2GABRB2SLC2A1NR1I2ABCB11
SCHEMBL23624267 0.71 GABRA2 (0.66) GABRA2GABRB2SLC2A1NR1I2ABCB11
SCHEMBL23624592 0.70 TSPO (0.60) GABRA2GABRB2SLC2A1NR1I2ABCB11
SCHEMBL3028009 0.69 TSPO (0.69) GABRA2GABRB2MEN1KMT2AKDM4E
SCHEMBL1691241 0.69 ALDH1A1 (0.68) GABRA2GABRB2SLC2A1MEN1KMT2A
SCHEMBL7261 0.69 GABRA2 (0.68) GABRA2GABRB2SLC2A1MEN1KMT2A

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 GABRA2 21/4885GABRB2 17/4885SLC2A1 3422/4885

“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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