SCHEMBL9102805

SCHEMBL9102805

CC(C)C[C@@H](CN1CC(O)C1)N(C)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.40
▸ P2RX7 Q99572 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL9101161 1.00 HRH3 (0.40) HRH3P2RX7USP2ALOX15OPRK1
SCHEMBL9103264 0.88 HRH3 (0.39) HRH3P2RX7OPRK1CHRM2CHRM3
SCHEMBL9103157 0.88 HRH3 (0.39) HRH3P2RX7OPRK1CHRM2CHRM3
SCHEMBL9102289 0.87 CYP2D6 (0.40) HRH3OPRK1CHRM2CHRM3MCHR1
SCHEMBL9100511 0.87 KDM2B (0.39) HRH3P2RX7OPRK1CHRM2CHRM3
SCHEMBL9100799 0.87 KDM2B (0.39) HRH3P2RX7OPRK1CHRM2CHRM3
SCHEMBL9100505 0.87 KDM2B (0.39) HRH3P2RX7OPRK1CHRM2CHRM3
SCHEMBL9100721 0.86 HRH3 (0.39) HRH3OPRK1
Hydrochloric Acid SCHEMBL9102959 0.86 KDM2B (0.39) HRH3P2RX7USP2ALOX15OPRK1
Hydrochloric Acid SCHEMBL9102951 0.86 KDM2B (0.39) HRH3P2RX7USP2ALOX15OPRK1

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-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US claimed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — US claimed
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HRH3 942/4885P2RX7 666/4885USP2 3248/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HRH3 942/4885P2RX7 666/4885USP2 3248/4885

“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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