SCHEMBL6071544

SCHEMBL6071544

Clc1ccccc1[CH]CN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40

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
SCHEMBL6071827 0.84 CYP2A13 (0.54) TSHRALDH1A1KDM4EL3MBTL1CYP2C19
SCHEMBL2461427 0.75 CHRNB2 (0.55) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27765777 0.75 MAPT (0.47) TSHRALDH1A1KDM4EPOLBMAPT
SCHEMBL2461181 0.72 CHRNB2 (0.52) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4960631 0.70 CYP19A1 (0.42) TSHRALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL3210628 0.69 ALDH1A1 (0.73) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL5738303 0.69 ALDH1A1 (0.73) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL1157213 0.69 ALDH1A1 (0.52) TSHRALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL8636775 0.68 CNR1 (0.55) ALDH1A1KDM4EPOLBL3MBTL1CYP2C19
Hydrochloric Acid SCHEMBL16825204 0.68 ALDH1A1 (0.71) ALDH1A1KDM4EPOLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 — — 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 TSHR 317/4885ALDH1A1 1815/4885KDM4E 2874/4885

“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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