SCHEMBL6437908

SCHEMBL6437908

O=C(CNCCO)Nc1cccc2ccc(O)cc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.55
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL6416667 0.82 TRPV1 (0.64) TRPV1KDM4EMEN1MAPTRAB9A
SCHEMBL6826339 0.79 TRPV1 (0.71) TRPV1
SCHEMBL6822698 0.79 TRPV1 (0.61) TRPV1KDM4EMEN1MAPTRAB9A
SCHEMBL8021152 0.79 TRPV1 (0.61) TRPV1KDM4EMEN1MAPTRAB9A
SCHEMBL8002331 0.78 TRPV1 (0.54) TRPV1KDM4EMEN1MAPTRAB9A
Hydrochloric Acid SCHEMBL7637050 0.78 TRPV1 (0.60) TRPV1KDM4EMEN1MAPTRAB9A
SCHEMBL11722439 0.78 TRPV1 (0.67) TRPV1KDM4EMEN1MAPTRAB9A
SCHEMBL6825879 0.77 TRPV1 (0.72) TRPV1KDM4EMEN1MAPTRAB9A
SCHEMBL2676769 0.75 TRPV1 (0.70) TRPV1KDM4EMEN1MAPTRAB9A
Hydrochloric Acid SCHEMBL10893600 0.75 TRPV1 (0.59) TRPV1KDM4EMEN1MAPTRAB9A

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-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US disclosed
US-6632818-B2 Piperazine-containing macrocyclic compounds MERCK & CO., INC. 2003-10-14 US disclosed
US-20030134860-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2003-07-17 US disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 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 (2 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-20030220241-A1 Method of treating cancer ACP3, PSAT1, LCAT TRPV1 4539/4885KDM4E 2184/4885MEN1 783/4885
US-20030134860-A1 Inhibitors of prenyl-protein transferase FNTA, FNTB, RCE1 TRPV1 4267/4885KDM4E 1761/4885MEN1 981/4885

“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.