SCHEMBL3464616

SCHEMBL3464616

O=[C]C1(c2ccccc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 1/20 0.38
HDAC4 P56524 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL7450867 0.95 AKR1C1 (0.47) AKR1C1MEN1KMT2ANPC1ALDH1A1
SCHEMBL6931655 0.93 AKR1C1 (0.45) AKR1C1MEN1KMT2ADPP4HDAC4
SCHEMBL324341 0.91 MEN1 (0.41) AKR1C1MEN1KMT2ACYP2C9OPRM1
SCHEMBL6137902 0.82 SLC6A2 (0.50) AKR1C1MEN1KMT2ANPC1ALDH1A1
SCHEMBL9164442 0.78 OPRM1 (0.42) HDAC4OPRM1
SCHEMBL872608 0.77 OPRM1 (0.56) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL8492015 0.76 OPRM1 (0.36) ALDH1A1SMN1; SMN2OPRM1OPRK1OPRL1
SCHEMBL2322625 0.74 HDAC4 (0.44) ALDH1A1HDAC4OPRM1
SCHEMBL56575 0.73 NPC1 (0.57) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL186587 0.73 DPP4 (0.42) AKR1C1MEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786307-B2 suchas N-(4(S)-amino-5(S)-hydroxy-2(S)-isopropyl-6-piperidin-1-ylhexyl)-2-(3-methoxypropoxy)benzamide dihydrochloride, used for the treatment of hypertension, cardiovasculr disorders, complications owing to diabetes, vision deffects, hyperaldosteronism, states of anxiety and cognitive disorders NOVARTIS AG (CH) 2010-08-31 US disclosed
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors NOVARTIS PHARMA AG (CH) 2007-07-05 US disclosed
EP-1756037-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-02-28 EP disclosed
US-20070021399-A1 Amido-amino alcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-01-25 US disclosed
EP-1745777-A1 Amido-aminoalcohols as therapeutic compounds Speedel Experimenta AG (CH) 2007-01-24 EP disclosed
WO-2005070871-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 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-20070021399-A1 Amido-amino alcohols as therapeutic compounds CTSD, BACE1, CTSL AKR1C1 380/4885MEN1 2839/4885KMT2A 3885/4885
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors REN, AGTR1, AGTR2 AKR1C1 100/4885MEN1 1979/4885KMT2A 3915/4885

“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.