SCHEMBL89578

SCHEMBL89578

COCCCOc1cc(CNC2CC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.42
MCHR1 Q99705 2/20 0.39
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ACP1 P24666 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36

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
Hydrochloric Acid SCHEMBL2809059 0.99 NCF1 (0.41) NCF1MCHR1APPBCHEACHE
SCHEMBL89260 0.80 HTR3E (0.44) NCF1MCHR1APPBCHEACHE
SCHEMBL664247 0.80 REN (0.42) NCF1MCHR1APPBCHEACHE
SCHEMBL88762 0.80 NCF1 (0.52) NCF1ACP1
SCHEMBL89580 0.79 NCF1 (0.49) NCF1ACP1
SCHEMBL89579 0.79 NCF1 (0.49) NCF1ACP1MEN1KMT2A
SCHEMBL2810309 0.79 REN (0.47) BCHEACHECYP1A2CYP3A4CYP2D6
SCHEMBL18509045 0.77 NCF1 (0.41) NCF1ACP1
SCHEMBL13132109 0.76 KMT2A (0.39) ALDH1A1MEN1KMT2A
SCHEMBL13132114 0.76 MEN1 (0.39) BCHEACHEALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 CN disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 NCF1 4177/4885MCHR1 613/4885APP 2302/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 NCF1 3515/4885MCHR1 2014/4885APP 1399/4885

“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.