SCHEMBL4468023

SCHEMBL4468023

Cc1nc2c(c(N3CCCCC3)n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HIF1A Q16665 2/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
BRS3 P32247 16/20 0.57
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL25196759 0.85 KDM4E (0.58) KDM4EALDH1A1HIF1AHPGDNPSR1
SCHEMBL5999840 0.82 KMT2A (0.56) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL183618 0.80 P2RX7 (0.53) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL19827118 0.80 CYP3A4 (0.56) KDM4EALDH1A1HPGDNPSR1LMNA
Hydrochloric Acid SCHEMBL6298078 0.79 P2RX7 (0.52) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL2343194 0.77 ALDH1A1 (0.47) KDM4EALDH1A1HIF1AHPGDNPSR1
SCHEMBL18835432 0.76 C5AR1 (0.57) KDM4EALDH1A1HIF1AHPGDNPSR1
SCHEMBL20589776 0.76 C5AR1 (0.63) KDM4EALDH1A1HIF1AHPGDNPSR1
SCHEMBL31095479 0.76 C5AR1 (0.63) KDM4EALDH1A1HIF1AHPGDNPSR1
SCHEMBL1831098 0.75 BRS3 (0.57) KDM4EALDH1A1HIF1AHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 US disclosed
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 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-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 KDM4E 752/4885ALDH1A1 441/4885HIF1A 3497/4885

“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.