SCHEMBL23624250

SCHEMBL23624250

Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N2CCN(C)C(C)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRB2 P47870 4/20 0.56
▸ GABRA1 P14867 3/20 0.56
▸ GABRA2 P47869 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ALB P02768 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ GABRB1 P18505 1/20 0.56
▸ GABRG2 P18507 1/20 0.56
▸ GABRB3 P28472 1/20 0.56
▸ GABRA3 P34903 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ SLC2A2 P11168 1/20 0.45
▸ KCNK3 O14649 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
SCHEMBL23624595 0.87 GABRA2 (0.69) GABRB2GABRA2ALBOPRK1KCNH2
SCHEMBL23624075 0.85 GABRB2 (0.63) GABRB2GABRA1GABRA2KDM4ELMNA
SCHEMBL23624240 0.80 GABRB2 (0.59) GABRB2GABRA1GABRA2KDM4ELMNA
SCHEMBL1761287 0.75 GABRA1 (0.74) GABRB2GABRA1GABRA2KDM4ELMNA
SCHEMBL2929266 0.75 GABRA1 (0.74) GABRB2GABRA1GABRA2KDM4ELMNA
SCHEMBL2930896 0.75 GABRB2 (0.67) GABRB2GABRA1GABRA2KDM4ELMNA
SCHEMBL6011803 0.74 GABRA1 (0.73) GABRB2GABRA1GABRA2KDM4ELMNA
SCHEMBL14797241 0.74 GABRA1 (0.73) GABRB2GABRA1GABRA2KDM4ELMNA
SCHEMBL2929147 0.74 GABRB2 (0.73) GABRB2GABRA1GABRA2KDM4ELMNA
Hydrochloric Acid SCHEMBL2935064 0.73 GABRB2 (0.71) GABRB2GABRA1GABRA2KDM4ELMNA

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-20230051850-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-16 — — US disclosed
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 (2 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-20230051850-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PMP22, GABBR1, MECP2 GABRB2 17/4885GABRA1 34/4885GABRA2 21/4885
US-20210206771-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PMP22, GABBR1, MECP2 GABRB2 17/4885GABRA1 34/4885GABRA2 21/4885

“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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