SCHEMBL22304553

SCHEMBL22304553

CC(C)(I)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.58
TAAR1 Q96RJ0 3/20 0.58
LMNA P02545 1/20 0.54
CYP2D6 P10635 1/20 0.54
TRPA1 O75762 2/20 0.52
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CALM1 P0DP23 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL24618316 0.86 TAAR1 (0.47) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL29043753 0.78 SLC6A2 (0.50) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL1572105 0.78 SLC6A2 (0.64) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL347187 0.78 SLC6A2 (0.64) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL7455615 0.77 CYP1A2 (0.54) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL24855465 0.77 ESR1 (0.40) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL25808751 0.77 TRPA1 (0.46) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL28358439 0.76 SLC6A2 (0.61) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL4661772 0.76 SLC6A2 (0.61) SLC6A2TAAR1LMNACYP2D6TRPA1
Ammonia Solution, Strong SCHEMBL10608295 0.76 SLC6A2 (0.61) SLC6A2TAAR1LMNACYP2D6TRPA1

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
CN-116120007-B Antioxidant cement-based waterproof material and preparation process thereof 安徽朗凯奇科技股份有限公司 2025-01-07 CN disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-06-22 US disclosed
EP-3532642-B1 DIGITAL ANALYSIS OF BLOOD SAMPLES TO DETERMINE EFFICACY OF CANCER THERAPIES FOR SPECIFIC CANCERS MASSACHUSETTS GEN HOSPITAL (US) 2021-12-08 EP disclosed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 US disclosed
EP-3738956-A1 CXCR2 ANTAGONIST Medshine Discovery Inc. (CN) 2020-11-18 EP disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 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 (4 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 SLC6A2 3315/4885TAAR1 3039/4885LMNA 3874/4885
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT SLC6A2 1160/4885TAAR1 4669/4885LMNA 2516/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT SLC6A2 1160/4885TAAR1 4669/4885LMNA 2516/4885
US-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY HAVCR2, CD4, CCR1 SLC6A2 4497/4885TAAR1 1204/4885LMNA 3918/4885

“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.