SCHEMBL1849484

SCHEMBL1849484

C[C@](N)(C(=O)O)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 2/20 0.45
NAPRT Q6XQN6 1/20 0.41
SLC22A12 Q96S37 3/20 0.39
CYP19A1 P11511 2/20 0.39
KIF11 P52732 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP17A1 P05093 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MPO P05164 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL28365468 1.00 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19NAPRTSLC22A12
SCHEMBL28365470 1.00 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19NAPRTSLC22A12
SCHEMBL59841 0.80 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KMT2ACYP3A4
SCHEMBL222049 0.80 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KMT2ACYP3A4
SCHEMBL220775 0.80 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KMT2ACYP3A4
SCHEMBL3620212 0.79 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19KIF11KDM4E
SCHEMBL3620211 0.79 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19KIF11KDM4E
Trifluoroacetic Acid SCHEMBL1515530 0.79 SLC22A12 (0.43) NAPRTSLC22A12CYP19A1KIF11KDM4E
Hydrochloric Acid SCHEMBL6369027 0.78 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19KMT2ACYP3A4
SCHEMBL5049198 0.78 CYP19A1 (0.49) CYP1A2NAPRTSLC22A12CYP19A1KIF11

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786078-B2 Template-fixed δ-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR LTD. (CH) 2010-08-31 US claimed
US-10730912-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD. (CH) 2020-08-04 US disclosed
US-10562933-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity POLYPHOR LTD. (CH) 2020-02-18 US disclosed
US-20190002498-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY POLYPHOR LTD (CH) 2019-01-03 US disclosed
US-10100084-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity POLYPHOR LTD. (CH) 2018-10-16 US disclosed
US-10000535-B2 Template-fixed peptidomimetics POLYPHOR LTD. (CH) 2018-06-19 US disclosed
US-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS POLYPHOR AG (CH) 2017-12-28 US disclosed
US-20170107259-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLYPHOR LTD. (CH) 2017-04-20 US disclosed
US-9596852-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD. (CH) 2017-03-21 US disclosed
US-9538752-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD. (CH) 2017-01-10 US disclosed
US-20090054345-A1 Template-Fixed Beta-Hairpin Peptidomimetics With Protease Inhibitory Activity POLYPHOR LTD. (CH) 2009-02-26 US disclosed
EP-1979374-A2 TEMPLATE-FIXED PEPTIDOMIMETICS Polyphor Ltd. (CH) 2008-10-15 EP disclosed
WO-2008092281-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2008-08-07 WO disclosed
EP-1879911-A1 DYE CONJUGATES OF TEMPLATE-FIXED PEPTIDOMIMETICS Polyphor Ltd. (CH) 2008-01-23 EP disclosed
EP-1856140-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY Polyphor Ltd. (CH) 2007-11-21 EP disclosed
WO-2007079597-A1 TEMPLATE - FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLYPHOR LTD. (CH) 2007-07-19 WO disclosed
WO-2007079605-A2 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLYPHOR LTD. (CH) 2007-07-19 WO disclosed
US-20070078079-A1 Template-fixed beta-hairpin peptidomimetics with cxcr4 antagonizing activity POLYPHOR LTD. (CH) 2007-04-05 US disclosed
WO-2006117011-A1 DYE CONJUGATES OF TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2006-11-09 WO disclosed
WO-2006087001-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY POLYPHOR LTD. (CH) 2006-08-24 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 (9 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-20070078079-A1 Template-fixed beta-hairpin peptidomimetics with cxcr4 antagonizing activity CXCR4, CXCL12, CCR5 CYP1A2 4879/4885CYP2D6 4801/4885CYP2C19 4485/4885
US-10100084-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity CTSG, CTRL, PREP CYP1A2 4629/4885CYP2D6 3828/4885CYP2C19 2713/4885
US-20190002498-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY CTSG, CTRL, PREP CYP1A2 4629/4885CYP2D6 3828/4885CYP2C19 2713/4885
US-20170107259-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLL, POLM, POLR1C CYP1A2 4630/4885CYP2D6 4649/4885CYP2C19 3402/4885
US-10000535-B2 Template-fixed peptidomimetics CCR10, CXCR3, CCR5 CYP1A2 4687/4885CYP2D6 4473/4885CYP2C19 4546/4885
US-10730912-B2 Template-fixed peptidomimetics with antimicrobial activity POLL, POLM, POLR1C CYP1A2 4646/4885CYP2D6 4664/4885CYP2C19 3440/4885
US-10562933-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity CTSG, CTRL, PREP CYP1A2 4629/4885CYP2D6 3828/4885CYP2C19 2713/4885
US-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS NCOA1, NCOA2, NCOR1 CYP1A2 4846/4885CYP2D6 4839/4885CYP2C19 4877/4885
US-20090054345-A1 Template-Fixed Beta-Hairpin Peptidomimetics With Protease Inhibitory Activity CTRL, CTSG, CTSZ CYP1A2 4574/4885CYP2D6 3704/4885CYP2C19 2348/4885

“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.