SCHEMBL3753225

SCHEMBL3753225

CCc1nc(-n2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c(C)n2)ncc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.47
CNR2 P34972 4/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
CNR1 P21554 1/20 0.41
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AVPR1A P37288 1/20 0.38

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
SCHEMBL3748416 0.88 P2RX7 (0.47) P2RX7CNR2ALDH1A1MEN1KMT2A
SCHEMBL3753007 0.88 P2RX7 (0.47) P2RX7CNR2ALDH1A1MEN1KMT2A
SCHEMBL3742132 0.87 P2RX7 (0.45) P2RX7CNR2ALDH1A1MEN1KMT2A
SCHEMBL3664224 0.87 P2RX7 (0.47) P2RX7CNR2ALDH1A1MEN1KMT2A
SCHEMBL3742850 0.87 P2RX7 (0.47) P2RX7CNR2ALDH1A1MEN1KMT2A
SCHEMBL3749349 0.86 CNR2 (0.49) P2RX7CNR2ALDH1A1MEN1KMT2A
SCHEMBL3749762 0.86 CNR2 (0.47) P2RX7CNR2ALDH1A1MEN1KMT2A
SCHEMBL3751758 0.86 P2RX7 (0.46) P2RX7CNR2ALDH1A1MEN1KMT2A
SCHEMBL13043111 0.85 P2RX7 (0.45) P2RX7CNR2ALDH1A1MEN1KMT2A
SCHEMBL3752011 0.85 P2RX7 (0.45) P2RX7CNR2ALDH1A1MEN1KMT2A

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 9 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

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 268/4885CNR2 17/4885ALDH1A1 875/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885CNR2 17/4885ALDH1A1 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.