SCHEMBL13246739

SCHEMBL13246739

C=CCC(C)(N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
PDE2A O00408 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
KIF11 P52732 2/20 0.38
IDO1 P14902 2/20 0.37
TGM2 P21980 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
HTR2C P28335 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 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
SCHEMBL830678 0.81 PYCR1 (0.37) ALDH1A1TSHRHTTATM
SCHEMBL838589 0.77 ATM (0.33) ALDH1A1TSHRHTTATM
SCHEMBL830941 0.77 KIF11 (0.46) ALDH1A1TSHRKIF11HTTATM
SCHEMBL830832 0.74 CYP2C19 (0.42) ALDH1A1IDO1TGM2HTTNPC1
SCHEMBL2997588 0.72 MAPT (0.51) ALDH1A1TSHRRAB9A
SCHEMBL963755 0.71 PDE2A (0.58) TAAR1PDE2AALDH1A1TSHRKIF11
SCHEMBL2995947 0.70 HTT (0.34) ALDH1A1TSHRHTTATM
SCHEMBL13448225 0.70 AHR (0.47) MAOB
Hydrochloric Acid SCHEMBL18920592 0.69 PDE2A (0.56) TAAR1PDE2AALDH1A1TSHRKIF11
SCHEMBL24277963 0.69 TGM2 (0.41) ALDH1A1TSHRKIF11TGM2

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-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA THADANI AVINASH N 2010-07-08 US disclosed
US-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA THADANI AVINASH N 2010-07-08 US disclosed
WO-2008119162-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 WO 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-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA HNMT, AADAT, DAO TACR1 1284/4885TAAR1 401/4885PDE2A 2623/4885

“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.