SCHEMBL17397553

SCHEMBL17397553

CCc1cc(C(=O)OC)ccc1C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
TLR2 O60603 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR6 P50406 1/20 0.40
OPRD1 P41143 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR2C P28335 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
PLAT P00750 1/20 0.39

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
SCHEMBL19155007 0.90 CHRNB2 (0.45) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
Tert-Butyl Formate SCHEMBL28128252 0.90 RBP4 (0.39) CHRNB2CHRNA4TLR2SLC6A2SLC6A4
SCHEMBL20847743 0.81 HTR2C (0.39) CHRNB2CHRNA4TLR2SLC6A2SLC6A4
SCHEMBL13646074 0.81 HTR2C (0.47) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL17397635 0.81 RBP4 (0.48) CHRNB2CHRNA4ALDH1A1KDM4ELMNA
SCHEMBL13645914 0.80 CHRNB2 (0.44) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL1763854 0.79 RBP4 (0.55) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL17397765 0.79 RBP4 (0.47) ALDH1A1KDM4ELMNARBP4MEN1
Hydrochloric Acid SCHEMBL3861904 0.78 CHRNB2 (0.43) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL7818115 0.78 CHRNB2 (0.44) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2020-02-04 US disclosed
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2020-02-04 US disclosed
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-04-25 US disclosed
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-04-25 US disclosed
EP-3164395-B1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
US-10208018-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2019-02-19 US disclosed
US-10208018-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2019-02-19 US disclosed
US-20170197940-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
US-20170197940-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
US-20170197940-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
EP-3164395-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Novartis AG (CH) 2017-05-10 EP disclosed
WO-2016001875-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2016-01-07 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 (4 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-20170197940-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE3A CHRNB2 451/4885CHRNA4 790/4885TLR2 3202/4885
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators GUCY1A2, GUCY1A1, PDE3A CHRNB2 451/4885CHRNA4 790/4885TLR2 3202/4885
US-10208018-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators GUCY1A2, GUCY1A1, PDE3A CHRNB2 451/4885CHRNA4 790/4885TLR2 3202/4885
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE3A CHRNB2 451/4885CHRNA4 790/4885TLR2 3202/4885

“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.