SCHEMBL3747482

SCHEMBL3747482

O=C(NCC1(N2CCOCC2)CCCCC1)c1sc(-c2ncccn2)nc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.56
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
THRB P10828 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.47
HCN4 Q9Y3Q4 1/20 0.46
MAPT P10636 1/20 0.43

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
SCHEMBL3749444 0.93 NPC1 (0.49) P2RX7TDP1HCN4
SCHEMBL3738922 0.89 TP53 (0.51) P2RX7THRBLMNAHCN4
SCHEMBL3744975 0.89 TP53 (0.51) P2RX7THRBLMNAHCN4
SCHEMBL3749698 0.89 HCN1 (0.47) P2RX7ALDH1A1TSHRHCN4
SCHEMBL3742769 0.84 P2RX7 (0.44) P2RX7ALDH1A1TSHRHCN4
SCHEMBL3748964 0.76 ALDH1A1 (0.56) P2RX7ALDH1A1TSHRTHRBLMNA
SCHEMBL3749021 0.76 P2RX7 (0.44) P2RX7ALDH1A1LMNA
SCHEMBL3745240 0.74 P2RX7 (0.51) P2RX7ALDH1A1LMNA
SCHEMBL13972041 0.74 THRB (0.40) ALDH1A1TSHRTHRBLMNATDP1
SCHEMBL3751362 0.73 P2RX7 (0.51) P2RX7

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 11 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
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 268/4885ALDH1A1 875/4885TSHR 72/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885ALDH1A1 875/4885TSHR 72/4885

“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.