SCHEMBL4173376

SCHEMBL4173376

O=C(Cc1ccncc1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.61
NOS1 P29475 1/20 0.61
HSD11B1 P28845 1/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KCNH2 Q12809 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SIGMAR1 Q99720 2/20 0.58
KCNJ1 P48048 1/20 0.57
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
POLB P06746 1/20 0.57
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
THRB P10828 3/20 0.56

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
SCHEMBL4183633 0.87 KDM4E (0.70) NOS3NOS1HSD11B1KDM4EALDH1A1
SCHEMBL10339998 0.85 ME2 (0.64) NOS3NOS1HSD11B1KDM4EALDH1A1
SCHEMBL4172158 0.84 TDP1 (0.72) SIGMAR1HTR1ADRD2
SCHEMBL6618441 0.84 NOS3 (0.61) NOS3NOS1HSD11B1KDM4EALDH1A1
SCHEMBL27544651 0.83 THRB (0.64) KCNH2MEN1KMT2APOLBHTR1A
SCHEMBL4840912 0.82 P2RX7 (0.53) KCNH2MEN1KMT2APOLBHTR1A
SCHEMBL4161284 0.81 KCNJ1 (0.52) NOS3NOS1KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL4832771 0.81 P2RX7 (0.52) KCNH2MEN1KMT2APOLBHTR1A
SCHEMBL4169180 0.81 SIGMAR1 (0.61) KCNH2KMT2ASIGMAR1KCNJ1THRB
Hydrochloric Acid SCHEMBL4840698 0.81 P2RX7 (0.52) KCNH2MEN1KMT2APOLBHTR1A

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 NOS3 1643/4885NOS1 2718/4885HSD11B1 39/4885

“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.