SCHEMBL14504584

SCHEMBL14504584

C[C@@H]1CCCN[C@@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.46
TSHR P16473 3/20 0.44
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
THPO P40225 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL21163277 1.00 TACR1 (0.46) TACR1TSHRSLC18A3SIGMAR1TP53
SCHEMBL25360423 1.00 TACR1 (0.46) TACR1TSHRSLC18A3SIGMAR1TP53
SCHEMBL22570096 1.00 TACR1 (0.46) TACR1TSHRSLC18A3SIGMAR1TP53
SCHEMBL22570100 1.00 TACR1 (0.46) TACR1TSHRSLC18A3SIGMAR1TP53
SCHEMBL15922404 1.00 TACR1 (0.46) TACR1TSHRSLC18A3SIGMAR1TP53
SCHEMBL13627816 0.88 SLC18A3 (0.47) TACR1TSHRSLC18A3SIGMAR1
SCHEMBL6206498 0.78 HTR2C (0.53) CYP1A2CYP2D6CYP2C19
SCHEMBL3374873 0.77 CYP1A2 (0.46) TACR1TSHRSLC18A3SIGMAR1TP53
SCHEMBL6073832 0.77 TSHR (0.44) TACR1TSHRSLC18A3SIGMAR1TP53
SCHEMBL24477562 0.77 SLC6A2 (0.49) TACR1SLC18A3SIGMAR1CYP1A2CYP2D6

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-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2020-10-22 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 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 (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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 TACR1 855/4885TSHR 862/4885SLC18A3 860/4885
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION MKI67, CCNC, CCNI TACR1 3711/4885TSHR 3253/4885SLC18A3 4237/4885

“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.