SCHEMBL22330352

SCHEMBL22330352

CC(C)(C)c1cc2cc(F)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNA7 P36544 3/20 0.36

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
SCHEMBL10253781 0.86 GFER (0.38) NPC1RAB9AMEN1KMT2ACHRNA7
SCHEMBL34472079 0.86 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL34471054 0.85 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2708073 0.78 STS (0.33) CYP1A2STS
SCHEMBL13208527 0.78 CYP2A6 (0.52) RAB9ACHRNA7HTR3ACYP1A2CYP2A6
SCHEMBL10132023 0.78 ALDH1A1 (0.39) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL25807784 0.77 EPHX2 (0.41) MEN1KMT2ACHRNA7HTR3ACLK1
SCHEMBL34471147 0.77 PDE2A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22314161 0.76 STS (0.33) NPC1RAB9ARXFP1STS
SCHEMBL17342267 0.76 SMN1; SMN2 (0.40) CHRNA7HTR3ACYP1A2CYP2A6CLK1

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-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 US disclosed
US-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2020-08-13 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-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 TUBB4A 261/4885TUBB 232/4885TUBA3C 245/4885
US-11142526-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, OPRK1 TUBB4A 261/4885TUBB 232/4885TUBA3C 245/4885

“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.