SCHEMBL6596304

SCHEMBL6596304

C(=C/c1ccccc1)\CN1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.58
HIF1A Q16665 4/20 0.58
CYP2D6 P10635 4/20 0.58
MAPK1 P28482 4/20 0.58
CYP3A4 P08684 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 3/20 0.58
OPRM1 P35372 3/20 0.58
SIGMAR1 Q99720 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
CHRM2 P08172 2/20 0.58
CHRM4 P08173 2/20 0.58
HTR1A P08908 2/20 0.58
CHRM5 P08912 2/20 0.58
ADRA2A P08913 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
CHRM1 P11229 2/20 0.58
DRD2 P14416 2/20 0.58
ADRA2B P18089 2/20 0.58

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
SCHEMBL1151817 1.00 LMNA (0.58) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL9530000 1.00 LMNA (0.58) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL1151821 1.00 LMNA (0.58) LMNAHIF1ACYP2D6MAPK1CYP3A4
Fluoride SCHEMBL27904711 0.98 LMNA (0.56) LMNAHIF1ACYP2D6MAPK1CYP3A4
Hydrochloric Acid SCHEMBL3842618 0.98 LMNA (0.56) LMNAHIF1ACYP2D6MAPK1CYP3A4
Hydrochloric Acid SCHEMBL3842615 0.98 LMNA (0.56) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL9123051 0.94 LTA4H (0.59) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL11661323 0.94 LTA4H (0.59) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL27901884 0.90 LMNA (0.51) LMNAHIF1ACYP2D6MAPK1CYP3A4
SCHEMBL27901883 0.90 LMNA (0.51) LMNAHIF1ACYP2D6MAPK1CYP3A4

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
EP-1069124-B1 2-Benzimidazolylamine compounds as ORL1-receptor agonists PFIZER (US) 2004-05-12 EP disclosed
US-20020128231-A1 Aryl-indane compounds EASTMAN CHEMICAL COMPANY 2002-09-12 US disclosed
WO-2002030915-A2 ARYL-INDANE COMPOUNDS FOR USE AS INHIBITORS OF P-GLYCOPROTEIN MEDIATED TRANSPORT AVLAN LIMITED (GB) 2002-04-18 WO disclosed
US-6340681-B1 USEFUL AS ANALGESICS IN MAMMALS PFIZER INC 2002-01-22 US disclosed
US-5395934-A Antiarrhythmia agents and cardiovascular disorders EGIS GYOGYSZERGYAR (HU) 1995-03-07 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 (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-20020128231-A1 Aryl-indane compounds ABCB1, ABCC1, ABCG2 LMNA 4136/4885HIF1A 2851/4885CYP2D6 142/4885

“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.