SCHEMBL2272254

SCHEMBL2272254

OC1CN(Cc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.58
ALDH1A1 P00352 1/20 0.56
CYP2D6 P10635 2/20 0.55
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
S1PR1 P21453 5/20 0.51
S1PR5 Q9H228 5/20 0.51
KCNH2 Q12809 1/20 0.51
CYP2C19 P33261 1/20 0.50
FAAH O00519 1/20 0.50
S1PR4 O95977 1/20 0.49
CHKA P35790 1/20 0.49
GBA1 P04062 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
SCHEMBL3262680 0.89 FUCA1 (0.68) FUCA1CYP2D6HRH4HRH3S1PR1
SCHEMBL1565431 0.88 FUCA1 (0.71) FUCA1ALDH1A1S1PR1S1PR5GBA1
SCHEMBL28874188 0.88 FUCA1 (0.71) FUCA1ALDH1A1S1PR1S1PR5GBA1
Hydrochloric Acid SCHEMBL1245678 0.86 FUCA1 (0.69) FUCA1ALDH1A1S1PR1S1PR5GBA1
SCHEMBL24008565 0.86 FUCA1 (0.74) FUCA1CYP2D6HRH4HRH3S1PR1
SCHEMBL2268869 0.86 FUCA1 (0.80) FUCA1CYP2D6HRH4HRH3S1PR1
SCHEMBL30287840 0.86 FUCA1 (0.74) FUCA1CYP2D6HRH4HRH3S1PR1
SCHEMBL1857553 0.86 FUCA1 (0.80) FUCA1CYP2D6HRH4HRH3S1PR1
SCHEMBL24023495 0.84 ALDH1A1 (0.82) ALDH1A1CYP2D6KCNH2CYP2C19CHKA
SCHEMBL24008985 0.82 RAB9A (0.64) ALDH1A1CYP2D6HRH3KCNH2CYP2C19

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-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2011-08-11 US disclosed
CN-1324353-A Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same SOD CONSEILS RECH APPLIC (FR) 2001-11-28 CN 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-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS GPI, GALE, HAVCR2 FUCA1 83/4885ALDH1A1 1382/4885CYP2D6 630/4885

“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.