SCHEMBL4643692

SCHEMBL4643692

Nc1cccc2c1C(O)CC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ANPEP P15144 1/20 0.38
PLAU P00749 1/20 0.35
CD44 P16070 1/20 0.35
ACHE P22303 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NR3C1 P04150 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL31567982 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL24992268 0.78 DRD2 (0.46)
SCHEMBL18540921 0.78 ACHE (0.45) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL21650388 0.78 ACHE (0.45) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL17397762 0.76 P2RX7 (0.37) ANPEP
SCHEMBL1438023 0.76 MAP3K14 (0.53) ALDH1A1
SCHEMBL18986893 0.76 P2RX7 (0.37) ANPEP
SCHEMBL19953487 0.76 DRD2 (0.41) ANPEP
SCHEMBL31722382 0.76 P2RX7 (0.37) ANPEP
SCHEMBL19960634 0.76 DRD2 (0.41) ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164395-B1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 US 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 (1 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-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 ALDH1A1 1326/4885KDM4E 2167/4885MEN1 3659/4885

“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.