SCHEMBL9537642

SCHEMBL9537642

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.46
P4HB P07237 1/20 0.46
SMAD3 P84022 1/20 0.46
ADRB2 P07550 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PHGDH O43175 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MGLL Q99685 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 3/20 0.40
THRB P10828 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL9869445 0.81 ACHE (0.53) ALDH1A1MAPTP4HBSMN1; SMN2TSHR
SCHEMBL16769334 0.81 ALDH1A1 (0.62) ALDH1A1P4HBSMAD3ADRB2SMN1; SMN2
SCHEMBL7034613 0.81 ALDH1A1 (0.62) ALDH1A1MAPTP4HBSMAD3ADRB2
SCHEMBL5000351 0.81 KCNA5 (0.53) ALDH1A1TSHRCYP2D6LMNA
SCHEMBL9534090 0.81 CYP2D6 (0.43) ALDH1A1ADRB2SMN1; SMN2TSHRCYP2D6
SCHEMBL855649 0.81 KCNA5 (0.53) ALDH1A1TSHRCYP2D6LMNA
SCHEMBL27556574 0.79 ALDH1A1 (0.60) ALDH1A1MAPTP4HBSMAD3ADRB2
SCHEMBL16463374 0.78 P2RX7 (0.46) ALDH1A1MAPTSMN1; SMN2P2RX7KDM4E
SCHEMBL5114145 0.78 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2HPGDCYP2D6
SCHEMBL18827142 0.78 ALDH1A1 (0.58) ALDH1A1MAPTP4HBSMAD3ADRB2

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 6 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
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP 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 ALDH1A1 1594/4885MAPT 3026/4885P4HB 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.