SCHEMBL10085511

SCHEMBL10085511

CCCc1ccc2c(c1)C(=O)N(c1ccc(C(C)C)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
ADRA1A P35348 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
PGR P06401 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD1 P21728 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 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
SCHEMBL10086542 0.93 HTR1A (0.44) HTR1AADRA1ANPC1RAB9ATP53
SCHEMBL10086440 0.90 HTR1A (0.47) HTR1AADRA1ANPC1RAB9ATP53
SCHEMBL550308 0.87 LMNA (0.64) HTR1AADRA1ANPC1RAB9ATP53
SCHEMBL10086544 0.86 HTR1A (0.41) HTR1AADRA1ANPC1RAB9ATP53
SCHEMBL10085898 0.86 NPC1 (0.46) HTR1AADRA1ANPC1RAB9ATP53
SCHEMBL10086422 0.84 NPC1 (0.44) HTR1AADRA1ANPC1RAB9ATP53
SCHEMBL10086441 0.84 NPC1 (0.44) HTR1AADRA1ANPC1RAB9ATP53
SCHEMBL550632 0.82 NPC1 (0.47) HTR1AADRA1ANPC1RAB9ATP53
SCHEMBL10085796 0.81 LMNA (0.61) HTR1AADRA1ANPC1RAB9ATP53
SCHEMBL1468655 0.81 NPC1 (0.43) HTR1AADRA1ANPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2012-04-05 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 US disclosed
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 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-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B HTR1A 3193/4885ADRA1A 2256/4885NPC1 1076/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B HTR1A 3517/4885ADRA1A 2356/4885NPC1 1202/4885

“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.