SCHEMBL2950302

SCHEMBL2950302

CC(C)(N)CCn1ccc2cc(C#N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
CYP19A1 P11511 2/20 0.43
PRMT5 O14744 1/20 0.41
CDC7 O00311 1/20 0.40
RORC P51449 1/20 0.37
NPY5R Q15761 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
ENPP3 O14638 1/20 0.36
ACACB O00763 1/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL2945789 0.89 P2RX7 (0.41) P2RX7CYP19A1PRMT5RORCNPY5R
SCHEMBL28315634 0.81 P2RX7 (0.50) P2RX7CYP19A1PRMT5CDC7RORC
SCHEMBL4617643 0.78 PLG (0.39) PLGPLAUHTR2AHTR2C
SCHEMBL30325435 0.77 P2RX7 (0.46) P2RX7CYP19A1PRMT5CDC7RORC
SCHEMBL14745064 0.77 P2RX7 (0.46) P2RX7CYP19A1PRMT5CDC7RORC
SCHEMBL2950156 0.77 PLG (0.38) PLGPLAUHTR2AHTR2C
SCHEMBL8463092 0.77 HTR2C (0.57) PRMT5HTR2AHTR2CKDM4E
SCHEMBL31735458 0.77 GLO1 (0.47) P2RX7CYP19A1PRMT5CDC7RORC
Hydrochloric Acid SCHEMBL2948588 0.76 PLG (0.38) PLGPLAUHTR2AHTR2C
SCHEMBL17242442 0.75 P2RX7 (0.54) P2RX7CYP19A1PRMT5CDC7RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US disclosed
US-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US disclosed
US-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US disclosed
EP-1943220-A2 NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS Boehringer Ingelheim International GmbH (DE) 2008-07-16 EP disclosed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
WO-2007048841-A2 NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
WO-2007048841-A2 NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 P2RX7 439/4885CYP19A1 497/4885PRMT5 3553/4885

“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.