SCHEMBL3465672

SCHEMBL3465672

CC[C@H](N)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.48
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP19A1 P11511 1/20 0.43
GAA P10253 1/20 0.42
KCNA5 P22460 2/20 0.41
KCNN4 O15554 1/20 0.40

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
SCHEMBL6855637 1.00 SLC6A4 (0.48) SLC6A4CFTRSLC6A2SLC6A3GOPC
SCHEMBL29669002 1.00 SLC6A4 (0.48) SLC6A4CFTRSLC6A2SLC6A3GOPC
SCHEMBL1037866 1.00 SLC6A4 (0.48) SLC6A4CFTRSLC6A2SLC6A3GOPC
Hydrochloric Acid SCHEMBL29484721 0.98 SLC6A4 (0.47) SLC6A4CFTRSLC6A2SLC6A3GOPC
Hydrochloric Acid SCHEMBL9073846 0.98 SLC6A4 (0.47) SLC6A4CFTRSLC6A2SLC6A3GOPC
Hydrochloric Acid SCHEMBL20302615 0.98 SLC6A4 (0.47) SLC6A4CFTRSLC6A2SLC6A3GOPC
SCHEMBL20319037 0.85 CFTR (0.46) SLC6A4CFTRSLC6A2SLC6A3GOPC
SCHEMBL905971 0.85 CFTR (0.46) SLC6A4CFTRSLC6A2SLC6A3GOPC
SCHEMBL906141 0.85 CFTR (0.46) SLC6A4CFTRSLC6A2SLC6A3GOPC
SCHEMBL14786230 0.82 L3MBTL1 (0.46) SLC6A4CFTRSLC6A2SLC6A3GOPC

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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (3 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 SLC6A4 4396/4885CFTR 369/4885SLC6A2 4643/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC SLC6A4 4412/4885CFTR 421/4885SLC6A2 4054/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 SLC6A4 4328/4885CFTR 541/4885SLC6A2 4677/4885

“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.