SCHEMBL7003988

SCHEMBL7003988

C[C@@H](N)c1ccc(F)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.43
HTR1B P28222 1/20 0.41
HTR2B P41595 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
SIGMAR1 Q99720 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
PNMT P11086 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL1253164 1.00 PDE2A (0.43) PDE2AHTR1BHTR2BGPR65LMNA
Hydrochloric Acid SCHEMBL2149832 0.98 PDE2A (0.42) PDE2AHTR1BHTR2BGPR65LMNA
SCHEMBL7004927 0.88 CYP3A4 (0.44) PDE2AHTR1BHTR2BGPR65LMNA
Hydrochloric Acid SCHEMBL2150419 0.86 ALDH1A1 (0.46) PDE2AHTR1BHTR2BGPR65LMNA
SCHEMBL12463310 0.83 HTR2B (0.42) HTR1BHTR2BGPR65LMNASLC6A4
SCHEMBL24017669 0.79 SIGMAR1 (0.37) PDE2AHTR1BHTR2BGPR65SLC6A4
SCHEMBL27467123 0.79 HTR1B (0.37) HTR1BHTR2BGPR65SLC6A4SLC6A3
SCHEMBL25688660 0.79 HTR1B (0.37) HTR1BHTR2BGPR65HTTSLC6A4
SCHEMBL7004100 0.79 PDE2A (0.43) PDE2ALMNATP53HTTSLC6A4
Hydrochloric Acid SCHEMBL2150248 0.77 PDE2A (0.42) PDE2ALMNATP53HTTSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-05-18 US disclosed
US-9598371-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2017-03-21 US disclosed
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-03-17 US disclosed
US-9227919-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN LIMITED (IN) 2016-01-05 US disclosed
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
US-20150239827-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2015-08-27 US disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 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 (5 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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL PDE2A 2231/4885HTR1B 370/4885HTR2B 467/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL PDE2A 2231/4885HTR1B 370/4885HTR2B 467/4885
US-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 PDE2A 951/4885HTR1B 313/4885HTR2B 409/4885
US-20150239827-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 PDE2A 951/4885HTR1B 313/4885HTR2B 409/4885
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 PDE2A 951/4885HTR1B 313/4885HTR2B 409/4885

“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.