SCHEMBL3148292

SCHEMBL3148292

C[C@H](Cc1cc2c(c(C(=O)NCCCO)c1)NCC2)NCCOc1ccccc1OCC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.60
ADRA1A P35348 20/20 0.60
ADRA1B P35368 19/20 0.60
ADRB2 P07550 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
DRD2 P14416 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
DRD1 P21728 1/20 0.60
DRD4 P21917 1/20 0.60
PTGS1 P23219 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR7 P34969 1/20 0.60
HRH1 P35367 1/20 0.60
OPRM1 P35372 1/20 0.60
DRD3 P35462 1/20 0.60
HTR2B P41595 1/20 0.60
SLC6A3 Q01959 1/20 0.60

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
SCHEMBL8469841 1.00 ADRA1D (0.60) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL4537580 0.91 ADRA1D (0.52) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL524781 0.84 ADRA1D (0.43) ADRA1DADRA1AADRA1BADRB2HTR1A
Propanol SCHEMBL28660784 0.81 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL3148298 0.77 ADRA1D (0.65) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL14895351 0.76 ADRA1D (0.87) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL7266131 0.76 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB2HTR1A
Silodosin SCHEMBL31017646 0.75 ADRA1D (1.00) ADRA1DADRA1AADRA1BADRB2HTR1A
Silodosin SCHEMBL10327491 0.75 ADRA1D (1.00) ADRA1DADRA1AADRA1BADRB2HTR1A
Silodosin SCHEMBL136973 0.75 ADRA1D (1.00) ADRA1DADRA1AADRA1BADRB2HTR1A

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
WO-2012131710-A2 NOVEL PROCESS FOR THE SYNTHESIS OF INDOLINE DERIVATIVES PANACEA BIOTEC LTD (IN) 2012-10-04 WO disclosed
WO-2012077138-A1 METHODS OF CRYSTALLIZING (R) -1- (3 -HYDROXYPROPYL) -5- [2- [2- [2- ( 2, 2, 2 - TRIFLUOROETHOXY) PHENOXY] ETHYLAMINO] PROPYL] INDOLINE-7 -CARBOXAMIDE PANACEA BIOTEC LIMITED (IN) 2012-06-14 WO disclosed
US-20100076010-A1 ALPHA 1A-ADRENOCEPTOR ANTAGONISTS CONCERT PHARMACEUTICALS, INC. 2010-03-25 US disclosed
EP-2125717-A2 DEUTERATED DERIVATIVES OF SILODOSIN AS ALPHA IA-ADRENORECEPTOR ANTAGONISTS Concert Pharmaceuticals Inc. (US) 2009-12-02 EP disclosed
WO-2008106125-A2 DEUTERATED DERIVATIVES OF SILODOSIN AS ALPHA LA-ADRENOCEPTOR ANTAGONISTS CONCERT PHARMACEUTICALS, INC. (US) 2008-09-04 WO 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-20100076010-A1 ALPHA 1A-ADRENOCEPTOR ANTAGONISTS ADRA1D, ADRA1A, ADRB1 ADRA1D 1/4885ADRA1A 2/4885ADRA1B 7/4885

“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.