SCHEMBL4183701

SCHEMBL4183701

O=C(Cc1ccccn1)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.60
TP53 P04637 3/20 0.57
THRB P10828 2/20 0.55
CNR1 P21554 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL4166716 0.85 SIGMAR1 (0.68) SIGMAR1THRBHTR1ACYP1A2CYP2D6
SCHEMBL4163306 0.85 KDM4E (0.54) SIGMAR1TP53THRBCNR1KDM4E
Bromide SCHEMBL4169172 0.84 SIGMAR1 (0.66) SIGMAR1THRBHTR1ACYP1A2CYP2D6
SCHEMBL4169180 0.82 SIGMAR1 (0.61) SIGMAR1THRBCYP1A2CYP2D6TMEM97
SCHEMBL2293063 0.78 SIGMAR1 (0.69) SIGMAR1HTR1ACYP1A2CYP2D6TMEM97
SCHEMBL10576036 0.78 ALDH1A1 (0.81) SIGMAR1CNR1KDM4EALDH1A1LMNA
SCHEMBL12120406 0.78 KDM4E (0.61) SIGMAR1TP53THRBCNR1KDM4E
SCHEMBL2293058 0.76 SIGMAR1 (0.59) SIGMAR1HTR1ACYP1A2CYP2D6TMEM97
SCHEMBL13118001 0.75 KDM4E (0.64) TP53THRBCNR1KDM4EALDH1A1
SCHEMBL13621171 0.74 KDM4E (0.59) TP53CNR1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
EP-1981849-A1 HETEROCYCLIC COMPOUNDS LEK Pharmaceuticals D.D. (SI) 2008-10-22 EP disclosed
WO-2007073935-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2007-07-05 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 (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-20090018118-A1 HETEROCYCLIC COMPOUNDS CYP51A1, DHCR7, LSS SIGMAR1 1948/4885TP53 4824/4885THRB 3508/4885

“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.