SCHEMBL732500

SCHEMBL732500

[CH2]CCC(c1ccccc1)n1cccn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CYP19A1 P11511 8/20 0.38
BRD4 O60885 1/20 0.35
HRH1 P35367 2/20 0.33
CYP17A1 P05093 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CCR2 P41597 1/20 0.32
HTR2A P28223 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL730151 0.86 TSHR (0.44) TSHRCYP19A1BRD4HRH1CYP17A1
SCHEMBL16116245 0.80 TBXAS1 (0.43) TSHRCYP19A1BRD4
SCHEMBL14857830 0.80 TSHR (0.39) TSHRCYP19A1BRD4HRH1CYP17A1
SCHEMBL28562010 0.79 TSHR (0.47) TSHRCYP19A1BRD4CYP17A1
SCHEMBL5674598 0.79 TAAR1 (0.47) TSHRCYP19A1BRD4HRH1SLC6A2
Hydrochloric Acid SCHEMBL28561898 0.78 TSHR (0.46) TSHRCYP19A1BRD4CYP17A1
SCHEMBL14857787 0.77 ALDH1A1 (0.41) TSHRCYP19A1BRD4CYP17A1
SCHEMBL27621980 0.75 POLB (0.45) TSHRBRD4
SCHEMBL27984061 0.73 NPC1 (0.41) TSHRBRD4
SCHEMBL14857486 0.73 TSHR (0.39) TSHRCYP19A1BRD4HRH1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
US-8071764-B2 Compounds of reverse turn mimetics and the use thereof (2) CHOONGWAE PHARMA CORPORATION (KR) 2011-12-06 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-11-11 US disclosed
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-23 US disclosed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 US disclosed
US-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-02 US disclosed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
EP-2212328-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
EP-2212330-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 US disclosed
WO-2009051398-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed
WO-2009051397-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 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-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF MCL1, MYADM, FLT3 TSHR 3101/4885CYP19A1 4248/4885BRD4 85/4885
US-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC TSHR 1688/4885CYP19A1 1694/4885BRD4 1562/4885
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) MCL1, BID, MYADM TSHR 3983/4885CYP19A1 4246/4885BRD4 225/4885
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC TSHR 1688/4885CYP19A1 1694/4885BRD4 1562/4885

“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.