SCHEMBL10109757

SCHEMBL10109757

Cc1nn(CC(C)(C)C)c(=O)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 3/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL12877767 0.81 LMNA (0.64) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL11985505 0.78 LMNA (0.69) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL10123547 0.78 LMNA (0.60) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL12862543 0.77 LMNA (0.59) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL8132638 0.77 LMNA (0.59) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL24000166 0.77 ALDH1A1 (0.65) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL6885992 0.77 LMNA (0.77) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL12301768 0.75 LMNA (0.75) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL23915567 0.75 LMNA (0.64) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL9377652 0.73 LMNA (0.55) LMNANPSR1RAB9ASMN1; SMN2KMT2A

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-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-03-01 US disclosed
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 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-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 LMNA 1826/4885NPSR1 79/4885RAB9A 1388/4885
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 LMNA 2874/4885NPSR1 4582/4885RAB9A 3107/4885

“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.