SCHEMBL9249869

SCHEMBL9249869

NCCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.68
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
DRD2 P14416 3/20 0.55
DRD4 P21917 3/20 0.55
DRD3 P35462 3/20 0.55
HTR2A P28223 2/20 0.55
HTR7 P34969 2/20 0.55
P2RX7 Q99572 4/20 0.51
IGF1R P08069 1/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
THPO P40225 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL9256653 0.98 ACHE (0.66) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL9004341 0.95 ACHE (0.69) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL9254406 0.89 ACHE (0.73) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL22252849 0.89 ACHE (0.78) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL16227246 0.85 ACHE (0.68) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL22252679 0.84 ACHE (0.88) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL3631349 0.84 DRD2 (0.63) ADRA1BDRD2DRD3P2RX7
SCHEMBL7267063 0.83 ACHE (0.69) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL7395278 0.83 ACHE (0.69) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL16226783 0.83 ACHE (0.69) ACHEADRA1AADRA1BDRD2DRD4

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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ACHE 1285/4885ADRA1A 17/4885ADRA1B 90/4885

“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.