SCHEMBL2988852

SCHEMBL2988852

[c]1ccc(OCCN2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.54
HRH3 Q9Y5N1 3/20 0.54
DRD2 P14416 1/20 0.54
SIGMAR1 Q99720 4/20 0.53
TMEM97 Q5BJF2 1/20 0.53
LTA4H P09960 2/20 0.53
KDM1A O60341 1/20 0.52
S1PR1 P21453 1/20 0.51
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL5888869 0.90 SIGMAR1 (0.64) SLC18A3HRH3DRD2SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL7409637 0.88 SIGMAR1 (0.62) SLC18A3HRH3DRD2SIGMAR1TMEM97
SCHEMBL5888791 0.82 HRH3 (0.74) SLC18A3HRH3DRD2SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL8170711 0.82 MAOB (0.58) SLC18A3HRH3LTA4HS1PR1MAOA
SCHEMBL5888867 0.81 HRH3 (0.68) HRH3SIGMAR1TMEM97MEN1TP53
SCHEMBL6304966 0.81 TMEM97 (0.82) HRH3SIGMAR1TMEM97LTA4HCARM1
SCHEMBL4214019 0.77 NPC1 (0.58) HRH3SIGMAR1TMEM97LTA4HMEN1
SCHEMBL159557 0.77 PSMB1 (0.62) HRH3LTA4H
SCHEMBL20652680 0.77 DRD2 (0.77) HRH3DRD2SIGMAR1TMEM97CYP3A4
SCHEMBL4576853 0.77 DRD2 (0.50) SLC18A3HRH3DRD2SIGMAR1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 SLC18A3 4255/4885HRH3 631/4885DRD2 4649/4885

“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.