SCHEMBL6795359

SCHEMBL6795359

O=C(CN1CCCCC1)Nc1ccccc1

nearest known ligand 0.94

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.94
KDM4E B2RXH2 4/20 0.94
NPC1 O15118 2/20 0.94
TP53 P04637 1/20 0.85
RAB9A P51151 1/20 0.85
POLB P06746 3/20 0.79
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
GLA P06280 1/20 0.74
LMNA P02545 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HPGD P15428 1/20 0.70
THRB P10828 1/20 0.69
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
RAD52 P43351 1/20 0.68
HTT P42858 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67

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
SCHEMBL11147683 0.98 ALDH1A1 (0.90) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL6893687 0.91 ALDH1A1 (0.79) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL7736294 0.91 ALDH1A1 (0.78) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL5334244 0.87 ALDH1A1 (0.97) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL14192211 0.86 ALDH1A1 (0.72) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL5925560 0.85 NPC1 (0.73) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL14537720 0.85 TSHR (0.75) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL8009141 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL13070618 0.85 NPC1 (0.72) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL27402246 0.84 GAA (0.77) ALDH1A1KDM4ENPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507212-B1 PROCESS FOR PREPARING METHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LTD (IN) 2014-04-16 EP claimed
EP-3350182-B1 NOVEL PIPERAZINE AND PIPERIDINE DERIVATIVES, THEIR SYNTHESIS AND USE THEREOF IN INHIBITING VDAC OLIGOMERIZATION, APOPTOSIS AND MITOCHONDRIA DYSFUNCTION NAT INST BIOTECHNOLOGY NEGEV LTD (IL) 2020-06-03 EP disclosed
US-20170247383-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USING THE SAME THE GENERAL HOSPITAL CORPORATION (US) 2017-08-31 US disclosed
EP-2852573-B1 N-[3-(2-CARBOXYETHYL)PHENYL]-PIPERIDIN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma AG (DE) 2017-02-01 EP disclosed
US-9309198-B2 N-[3-(2-carboxyethyl)phenyl]piperidin-1-ylacetamide derivatives and use thereof as activators of soluble guanylate cyclase BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-12 US disclosed
US-20150152050-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-04 US disclosed
EP-2852573-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma Aktiengesellschaft (DE) 2015-04-01 EP disclosed
WO-2013174736-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 WO disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-4581056-A Synergistic senescence delaying foliar fertilizer composition and method of using same to delay senescence in field crops THE BOARD OF REGENTS OF UNIVERSITY OF MICHIGAN, CORP. OF MICHIGAN (US) 1986-04-08 US disclosed
US-4244962-A FOR PLANTS CIBA-GEIGY CORPORATION (US) 1981-01-13 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-20170247383-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USING THE SAME GAP43, PNMT, SLC6A3 ALDH1A1 281/4885KDM4E 2259/4885NPC1 1108/4885
US-20150152050-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE GUCY1A2, GUCY1A1, GUCY1B2 ALDH1A1 1040/4885KDM4E 2173/4885NPC1 1782/4885

“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.