SCHEMBL730575

SCHEMBL730575

[CH2]C(c1ccccc1)n1cccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CYP19A1 P11511 8/20 0.41
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HMOX2 P30519 1/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
USP2 O75604 1/20 0.32
ABCB11 O95342 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
TP53 P04637 1/20 0.32
CYP17A1 P05093 1/20 0.32
PGR P06401 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL5865713 0.79 CYP19A1 (0.57) TSHRCYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL3996750 0.78 CYP19A1 (0.46) TSHRCYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL23343730 0.76 TSHR (0.43) TSHRCYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL22369257 0.76 CYP2D6 (0.45) TSHRCYP19A1KDM4EMEN1ALDH1A1
SCHEMBL28827501 0.76 TSHR (0.43) TSHRCYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL5894567 0.76 TSHR (0.51) TSHRCYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL15174490 0.76 CYP2D6 (0.45) TSHRCYP19A1KDM4EMEN1ALDH1A1
SCHEMBL5139870 0.76 CYP17A1 (0.45) TSHRCYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL730151 0.76 TSHR (0.44) TSHRCYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL21547790 0.73 TSHR (0.49) TSHRCYP19A1SLC6A4KDM4EEGLN1

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 4248/4885SLC6A2 4840/4885
US-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC TSHR 1688/4885CYP19A1 1694/4885SLC6A2 4650/4885
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) MCL1, BID, MYADM TSHR 3983/4885CYP19A1 4246/4885SLC6A2 4846/4885
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC TSHR 1688/4885CYP19A1 1694/4885SLC6A2 4650/4885

“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.