SCHEMBL15544896

SCHEMBL15544896

CN1CCN(CCC2=CCc3c(Br)cccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.38
MC4R P32245 1/20 0.37
HTR6 P50406 4/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CNR1 P21554 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL15591826 0.82 KDM4E (0.46) SIGMAR1MC4R
SCHEMBL15591792 0.79 BMP4 (0.39) SIGMAR1CYP1A2CYP3A4
SCHEMBL15591747 0.79 ALDH1A1 (0.40) SIGMAR1MC4R
SCHEMBL2962759 0.79 PIM1 (0.35)
SCHEMBL15591823 0.78 HTR7 (0.40) SIGMAR1HTR6
SCHEMBL16477737 0.78 CYP2C9 (0.37) SIGMAR1CYP2D6CYP1A2HTR2AHTR2C
SCHEMBL15591740 0.77 HTR1A (0.42) SIGMAR1MC4R
SCHEMBL15591746 0.77 SIGMAR1 (0.47) SIGMAR1
SCHEMBL15591827 0.77 ADRA1A (0.39) SIGMAR1HTR2AHTR2C
SCHEMBL2971821 0.76 PIM1 (0.33) SIGMAR1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493434-B2 Substituted indenes as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-11-15 US disclosed
US-9493434-B2 Substituted indenes as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-11-15 US disclosed
US-9493434-B2 Substituted indenes as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-11-15 US disclosed
EP-2870145-B1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2016-09-21 EP disclosed
EP-2870145-B1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2016-09-21 EP disclosed
US-20150158831-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2015-06-11 US disclosed
US-20150158831-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2015-06-11 US disclosed
US-20150158831-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2015-06-11 US disclosed
EP-2870145-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2015-05-13 EP disclosed
WO-2014006071-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-01-09 WO disclosed
WO-2014006071-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-01-09 WO disclosed
EP-2682391-A1 Indene derivatives, their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-01-08 EP disclosed
EP-2682391-A1 Indene derivatives, their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-01-08 EP 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-20150158831-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885MC4R 1168/4885HTR6 93/4885

“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.