SCHEMBL731918

SCHEMBL731918

N[C@@H]1CCCc2c1cnn2CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.40
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.31
DHODH Q02127 1/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
AADAT Q8N5Z0 1/20 0.30
NPC1 O15118 1/20 0.30
GALR3 O60755 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
SCHEMBL731919 1.00 KMO (0.40) KMOMAPK1ALDH1A1KDM4EHTT
SCHEMBL27812516 0.92 ALDH1A1 (0.40) KMOMAPK1ALDH1A1KDM4EHTT
SCHEMBL27816264 0.92 ALDH1A1 (0.40) KMOMAPK1ALDH1A1KDM4EHTT
SCHEMBL14864210 0.86 LMNA (0.36) KMOKDM4EDHODHAADATNPC1
SCHEMBL702042 0.85 SMN1; SMN2 (0.36) NPC1GALR3
SCHEMBL702043 0.85 SMN1; SMN2 (0.36) NPC1GALR3
SCHEMBL16502922 0.84 HTT (0.33) HTTSIGMAR1
SCHEMBL27812511 0.80 SLC18A3 (0.36) ALDH1A1
SCHEMBL27832844 0.80 SLC18A3 (0.36) ALDH1A1
SCHEMBL16502921 0.77 CYP1A2 (0.38) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 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 (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-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 KMO 1102/4885MAPK1 3240/4885ALDH1A1 507/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KMO 1102/4885MAPK1 3240/4885ALDH1A1 507/4885

“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.