SCHEMBL5211703

SCHEMBL5211703

FC(F)(Br)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TRPA1 O75762 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ CALM1 P0DP23 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ FDPS P14324 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL19224281 0.80 SLC6A2 (0.50) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL185769 0.80 SLC6A2 (0.50) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL29253660 0.78 SLC6A2 (0.48) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL5409507 0.77 TAAR1 (0.54) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL4324787 0.77 ALDH1A1 (0.52) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL10159611 0.77 TSHR (0.46) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL10588679 0.77 SLC6A2 (0.52) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL5885752 0.76 TAAR1 (0.58) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL7361271 0.76 SLC6A2 (0.58) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL11859244 0.76 SLC6A2 (0.46) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669365-B Aryl or heteroaryl compound containing difluoroalkyl substitution, preparation method and application 中国科学院上海有机化学研究所 2022-06-21 — — CN disclosed
EP-1641756-B1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME (GB) 2007-04-11 — — EP disclosed
US-20060211735-A1 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor MERCK SHARP & DOHME LTD. (GB) 2006-09-21 — — 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 (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-20060211735-A1 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor HTR2A, HTR2C, HTR5A SLC6A2 74/4885TAAR1 110/4885CYP1A2 99/4885

“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.

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