SCHEMBL9869445

SCHEMBL9869445

[CH2]C(c1ccc(F)cc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.53
KDM4E B2RXH2 1/20 0.50
P4HB P07237 1/20 0.46
HTT P42858 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HRH3 Q9Y5N1 1/20 0.41
P2RX7 Q99572 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GRM5 P41594 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL9537642 0.81 ALDH1A1 (0.58) KDM4EP4HBCYP2D6P2RX7MAPT
SCHEMBL17240247 0.81 ACHE (0.38) ACHEKDM4EP4HBHTTCYP3A4
SCHEMBL5000351 0.81 KCNA5 (0.53) HTTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL855649 0.81 KCNA5 (0.53) HTTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17240220 0.81 ALDH1A1 (0.40) ACHEKDM4EP4HBMAPTPOLB
SCHEMBL17240256 0.80 HTT (0.42) ACHEP4HBHTTCYP3A4CYP2D6
SCHEMBL27577404 0.78 HRH3 (0.42) ACHEKDM4EHRH3MAPTALDH1A1
SCHEMBL10231108 0.78 ACHE (0.53) ACHEKDM4EP4HBHTTCYP3A4
SCHEMBL27577302 0.78 ACHE (0.44) ACHECYP2D6HRH3
SCHEMBL5114145 0.78 ALDH1A1 (0.44) KDM4EHTTCYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718774-B2 Indole carboxamide derivatives as P2X7 receptor antagonist IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-01 US disclosed
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2015-11-12 US disclosed
EP-2906549-A2 CYCLIC AMINES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
WO-2014057080-A2 CYCLIC AMINES H. LUNDBECK A/S (DK) 2014-04-17 WO disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 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-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST P2RX3, P2RX7, P2RX1 ACHE 1018/4885KDM4E 2299/4885P4HB 4673/4885

“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.