SCHEMBL5860434

SCHEMBL5860434

CCC(C#N)(CC)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 2/20 0.40
▸ KCNN4 O15554 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ AR P10275 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL9555953 0.79 KCNN4 (0.36) PYCR1KCNN4LMNAARHTR2A
SCHEMBL10389819 0.77 TSHR (0.47) LMNAARCCR1TSHRALDH1A1
SCHEMBL1605524 0.74 KCNN4 (0.41) PYCR1KCNN4LMNAARHTR2A
SCHEMBL11097563 0.73 FFAR1 (0.38) KCNN4HTR2AHTR2CADRA1AOPRK1
SCHEMBL9160945 0.73 KCNN4 (0.43) PYCR1KCNN4LMNAHTR2AHTR2C
SCHEMBL10369798 0.72 CYP3A4 (0.40) KCNH2ALDH1A1
SCHEMBL11093234 0.72 ALDH1A1 (0.39) LMNATSHRALDH1A1
SCHEMBL31368866 0.72 KMT2A (0.33) LMNATSHRALDH1A1
SCHEMBL13930866 0.71 KCNN4 (0.42) PYCR1KCNN4LMNAHTR2AHTR2C
SCHEMBL805455 0.71 KCNN4 (0.42) PYCR1KCNN4LMNAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 — — US claimed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 — — EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 — — WO claimed
US-7012146-B2 Ion channel modulating agents POSEIDON PHARMACEUTICALS A/S (DK) 2006-03-14 — — US disclosed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 — — US disclosed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 — — EP disclosed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 — — 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-20020169203-A1 Ion channel modulating agents KCNN3, KCNN1, KCNN2 PYCR1 2885/4885KCNN4 5/4885LMNA 1896/4885

“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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