Afalanine

Afalanine

SCHEMBL5154381

CC(=O)N[C@@H](Cc1ccccc1)C(=O)O.Clc1ccc([C@H](OC2CCNCC2)c2ccccn2)cc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
POLB P06746 1/20 0.41
FAAH O00519 6/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ITGAV P06756 1/20 0.39
DRD2 P14416 1/20 0.39
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
GPR34 Q9UPC5 1/20 0.38

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
SCHEMBL5154387 0.84 FAAH (0.41) POLBFAAHCNR1CNR2DRD2
Cadaverine Tartrate SCHEMBL20898382 0.83 POLB (0.45) POLBFAAHDRD2LMNACHRM2
Cadaverine Tartrate SCHEMBL8638485 0.83 POLB (0.45) POLBFAAHDRD2LMNACHRM2
Cadaverine Tartrate SCHEMBL20898278 0.83 POLB (0.45) POLBFAAHDRD2LMNACHRM2
Cadaverine Tartrate SCHEMBL20898277 0.83 POLB (0.45) POLBFAAHDRD2LMNACHRM2
SCHEMBL7683665 0.82 DRD2 (0.46) FAAHDRD2GPR34
SCHEMBL1499960 0.81 SLC6A4 (0.49) POLBDRD2LMNACHRM2ADRA2B
SCHEMBL2805296 0.81 SLC6A4 (0.49) POLBDRD2LMNACHRM2ADRA2B
SCHEMBL2803588 0.81 SLC6A4 (0.49) POLBDRD2LMNACHRM2ADRA2B
SCHEMBL5155531 0.78 POLB (0.42) POLBFAAHCNR1CNR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282589-B2 Acid addition salt of optically active piperidine compound and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2007-10-16 US disclosed
US-20040220226-A1 Acid addition salt of optically active piperidine compound and process for preparing the same UBE INDUSTRIES, LTD. 2004-11-04 US disclosed
US-6780877-B2 ANTIHISTAMINIC ACTIVITY, ANTI-ALLERGIC ACTIVITY UBE INDUSTRIES, LTD. (JP) 2004-08-24 US disclosed
EP-0949260-B1 ACID-ADDITION SALTS OF OPTICALLY ACTIVE PIPERIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2002-05-22 EP disclosed
US-20020026054-A1 Acid addition salt of optically active piperidine compound and process for preparing the same UBE INDUSTRIES, LTD. 2002-02-28 US disclosed
US-6307052-B1 Acid-addition salts of optically active piperidine compound and process for producing the same UBE INDUSTRIES, LTD. (JP) 2001-10-23 US disclosed
EP-0949260-A1 ACID-ADDITION SALTS OF OPTICALLY ACTIVE PIPERIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 1999-10-13 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 (2 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-20020026054-A1 Acid addition salt of optically active piperidine compound and process for preparing the same CMA1, HRH1, HRH2 ITGB3 4658/4885ITGA2B 4260/4885POLB 1746/4885
US-20040220226-A1 Acid addition salt of optically active piperidine compound and process for preparing the same DCTPP1, SSRP1, ITPA ITGB3 4634/4885ITGA2B 3538/4885POLB 1054/4885

“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.