SCHEMBL4470929

SCHEMBL4470929

CC(c1ccc([N+](=O)[O-])cc1)N1CCN(CC(O)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
HTR1A P08908 2/20 0.54
GAA P10253 1/20 0.52
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
OPRK1 P41145 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
MC4R P32245 1/20 0.47

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
SCHEMBL4477437 0.86 KMT2A (0.71) IGF1RMEN1KMT2AOPRM1OPRD1
SCHEMBL4474689 0.86 KMT2A (0.71) IGF1RMEN1KMT2AOPRM1OPRD1
SCHEMBL4468315 0.86 KMT2A (0.71) IGF1RMEN1KMT2AOPRM1OPRD1
SCHEMBL4466517 0.86 KMT2A (0.71) IGF1RMEN1KMT2AOPRM1OPRD1
SCHEMBL4486265 0.86 KMT2A (0.71) IGF1RMEN1KMT2AOPRM1OPRD1
SCHEMBL11726331 0.84 IGF1R (0.73) IGF1RMEN1KMT2AOPRM1OPRD1
SCHEMBL297782 0.84 IGF1R (0.73) IGF1RMEN1KMT2AOPRM1OPRD1
SCHEMBL4477546 0.81 KDM4E (0.70) IGF1RHTR1ATDP1KDM4ESMN1; SMN2
SCHEMBL4475769 0.81 KDM4E (0.70) IGF1RHTR1AGAATDP1KDM4E
SCHEMBL4483824 0.81 KDM4E (0.70) IGF1RHTR1AGAATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576086-B2 N1-benzyl-N4-(phenylpropane-2-yl-3-ol)piperazine; triple action on hydroxytryptamine (5-HT), noradrenalin (NA)and dopamine(DA); on brain synapses; cytochrome P-450 monooxygenase enzyme system antagonists; enzyme inhibitors; side effect reduction SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2009-08-18 US disclosed
US-20050267121-A1 Aralkyl-alcohol peiperazine derivatives adn their uses as antidepressant SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-12-01 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-20050267121-A1 Aralkyl-alcohol peiperazine derivatives adn their uses as antidepressant AANAT, GAP43, TPH2 IGF1R 3820/4885MEN1 3476/4885KMT2A 3071/4885

“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.