SCHEMBL2343554

SCHEMBL2343554

Clc1ccc(O[C@@H]2CCNC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.66
HTR2B P41595 8/20 0.66
SLC6A4 P31645 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
HRH1 P35367 1/20 0.52
PRKCZ Q05513 1/20 0.51

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
SCHEMBL2343564 1.00 HTR2C (0.66) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL2344178 1.00 HTR2C (0.66) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL4317194 0.95 HTR2C (0.69) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL4317199 0.95 HTR2C (0.69) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL3809688 0.89 CHRNB2 (0.63) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL187857 0.89 HRH1 (0.66) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL1808272 0.87 HRH1 (0.63) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL21071433 0.85 HRH1 (0.61) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL232806 0.84 SLC6A4 (0.63) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL4317187 0.84 HRH1 (0.59) HTR2CHTR2BSLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536697-B1 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES DAE WOONG PHARMA (KR) 2016-10-19 EP disclosed
CN-102762542-B Novel antifungal triazole derivatives DAE WOONG PHARMA 2015-07-22 CN disclosed
US-8940768-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-01-27 US disclosed
EP-2536697-A2 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES Daewoong Pharmaceutical Co., Ltd (KR) 2012-12-26 EP disclosed
US-20120309771-A1 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2012-12-06 US disclosed
CN-102762542-A Novel antifungal triazole derivatives DAE WOONG PHARMA 2012-10-31 CN disclosed
WO-2011099804-A2 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-08-18 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-20120309771-A1 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES ERG28, CYP51A1, DPM1 HTR2C 4440/4885HTR2B 4593/4885SLC6A4 3933/4885

“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.