SCHEMBL3753610

SCHEMBL3753610

Nc1cccnc1-n1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.49
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.42
DGAT1 O75907 1/20 0.42
TP53 P04637 1/20 0.41
CNR2 P34972 3/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL3751313 0.89 P2RX7 (0.53) P2RX7MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3746378 0.88 MEN1 (0.42) P2RX7MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3736592 0.86 MEN1 (0.50) P2RX7MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3743160 0.82 KDM4E (0.43) P2RX7MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3751425 0.81 CNR2 (0.42) P2RX7MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3748985 0.80 P2RX7 (0.44) P2RX7MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3739017 0.79 MEN1 (0.42) P2RX7MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3747249 0.79 MEN1 (0.42) P2RX7MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3738870 0.78 TP53 (0.43) P2RX7MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3742898 0.78 CNR2 (0.45) P2RX7MEN1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 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 (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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885MEN1 4162/4885ALDH1A1 875/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885MEN1 4162/4885ALDH1A1 875/4885

“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.