SCHEMBL5757130

SCHEMBL5757130

[c]1nc2ccccc2n1OCc1ncco1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
HRH1 P35367 2/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL5761994 0.78 ADORA3 (0.40) NPC1RAB9ATSHRKDM4EALDH1A1
SCHEMBL5759414 0.76 ALDH1A1 (0.42) CYP2D6POLBNPC1RAB9AKDM4E
SCHEMBL5761635 0.76 NTRK1 (0.33) CYP2D6HRH1
SCHEMBL5759004 0.73 PDE10A (0.33) RAB9ATSHRNPSR1RXFP1
SCHEMBL5757427 0.73 GABRA1 (0.36) CYP2D6HRH1TSHRKDM4EALDH1A1
SCHEMBL5757777 0.72 ALOX15 (0.40) POLBNPC1RAB9ATSHRKDM4E
SCHEMBL10832864 0.71 SLC9A1 (0.37) CYP2D6POLBNPC1RAB9ATSHR
SCHEMBL909189 0.68 TSHR (0.31) POLBTSHRNPSR1RXFP1
SCHEMBL9372396 0.67 SLC9A1 (0.40) NPC1RAB9ATSHRKDM4EALDH1A1
SCHEMBL22833014 0.66 MEN1 (0.48) POLBRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-6329397-B1 TREATMENT OF A CONDITION SELECTED FROM THE GROUP CONSISTING OF ARTHRITIS, CANCER, AND OTHER DISEASES CHARACTERIZED BY MATRIX METALLOPROTEINASE OR MAMMALIAN REPROLYSIN ACTIVITY. PFIZER 2001-12-11 US disclosed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 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 (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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 CYP2D6 676/4885HRH1 1084/4885POLB 710/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 CYP2D6 851/4885HRH1 713/4885POLB 769/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 CYP2D6 2673/4885HRH1 222/4885POLB 653/4885

“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.