SCHEMBL21706532

SCHEMBL21706532

CCCCCCCC(CCCCCC)C1=NCCO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NR1I2 O75469 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL21034047 1.00 LMNA (0.31) LMNAADH1BADH1CADH1AADH4
SCHEMBL21706413 0.93 NR1I2 (0.35) NR1I2
SCHEMBL9066338 0.90 LMNA (0.39) LMNA
SCHEMBL11182671 0.90 LMNA (0.39) LMNA
SCHEMBL23771881 0.90 NOS3 (0.33)
SCHEMBL23771969 0.90 NOS3 (0.33)
SCHEMBL24171957 0.88
SCHEMBL27969543 0.86 ADRA2A (0.33) LMNAADH1BADH1CADH1AADH4
SCHEMBL30670310 0.86 ADRA2A (0.31) ADRA2AADRA2BADRA2C
SCHEMBL23466952 0.84 ADH1B (0.33) LMNAADH1BADH1CADH1AADH4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024525-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2024-07-02 US disclosed
US-20230134844-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. 2023-05-04 US disclosed
US-20200048268-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-13 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 (3 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-12024525-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GRM5, GABRA5, GABRE LMNA 2061/4885ADH1B 1654/4885ADH1C 1552/4885
US-20200048268-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRA1 LMNA 2588/4885ADH1B 2093/4885ADH1C 2327/4885
US-20230134844-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GABRA5, GABRE LMNA 2504/4885ADH1B 1756/4885ADH1C 2000/4885

“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.