SCHEMBL451516

SCHEMBL451516

CC(C)(N)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.60
SLC6A2 P23975 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2A P28223 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
AOC3 Q16853 3/20 0.45
MAOA P21397 4/20 0.44
MAOB P27338 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.43
KDM1A O60341 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
Bromide SCHEMBL11038152 0.98 TAAR1 (0.58) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
Hydrochloric Acid SCHEMBL11164072 0.98 TAAR1 (0.58) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
Water SCHEMBL2959270 0.98 TAAR1 (0.58) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
Pivalate SCHEMBL5675687 0.88 GRM2 (0.50) TAAR1SLC6A2SMN1; SMN2ALDH1A1ALOX12
SCHEMBL21058265 0.87 SLC6A2 (0.44) TAAR1SLC6A2CYP2A6HTR2ACYP1A2
SCHEMBL21058273 0.87 TAAR1 (0.48) TAAR1SLC6A2MAOAMAOBLMNA
SCHEMBL3797223 0.86 TAAR1 (0.56) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
SCHEMBL21058237 0.86 TAAR1 (0.54) TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A
Bromide SCHEMBL11133528 0.85 SLC6A2 (0.54) TAAR1SLC6A2HTR2AAOC3MAOA
SCHEMBL3802516 0.85 MAOA (0.54) TAAR1SLC6A2HTR2AAOC3MAOA

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 349 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399234-A1 PRODUCTION OF A BLOCKED CURING AGENT BASED ON A PARTLY ORGANIC-BASED POLYISOCYANATE AND USE AS A 1K PUR BAKING ENAMEL Covestro Deutschland AG (DE) 2024-07-17 EP claimed
WO-2023036861-A1 PRODUCTION OF A BLOCKED CURING AGENT BASED ON A PARTLY ORGANIC-BASED POLYISOCYANATE AND USE AS A 1K PUR BAKING ENAMEL COVESTRO DEUTSCHLAND AG (DE) 2023-03-16 WO claimed
EP-4148077-A1 PRODUCTION OF A BLOCKED CURING AGENT BASED ON A PARTIALLY BIO-BASED POLYISOCYANATE AND USE AS A 1K-PURE STOVING ENAMEL Covestro Deutschland AG (DE) 2023-03-15 EP claimed
CN-112300149-A Preparation method of arotinolol hydrochloride 北京弘德信医药科技有限公司 2021-02-02 CN claimed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20200223974-A1 METHODS AND COMPOSITIONS FOR POLYURETHANE DISPERSIONS USING CAPROLACTAM-DERIVED SOLVENTS TRUIST BANK, AS ADMINISTRATIVE AGENT 2020-07-16 US claimed
CN-106631831-B A kind of preparation method of left-handed Terbutaline 北京盈科瑞创新医药股份有限公司 2019-09-20 CN claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
CN-108623486-A A kind of preparation method of V hydrochloride of salbutamol intermediate 重庆康刻尔制药有限公司 2018-10-09 CN claimed
CN-104557572-B Levalbuterol intermediate and levalbuterol hydrochloride synthesis method 上海默学医药科技有限公司 2017-02-22 CN claimed
US-20070129488-A1 Preparation of a polyurethane dispersion with blocked isocyanate groups BAYER MATERIALSCIENCE AG 2007-06-07 US claimed
US-20070123644-A1 ORGANOSILICON COMPOUNDS WITH A MASKED ISOCYANATE GROUP WACKER CHEMIE AG (DE) 2007-05-31 US claimed
US-20070072989-A1 Two-part sizing composition for reinforcement fibers OWENS-CORNING FIBERGLAS TECHNOLOGY II, LLC 2007-03-29 US claimed
EP-1375551-B1 Aralkylamine blocking agents for non-aqueous polyisocyanate BAYER MATERIALSCIENCE AG (DE) 2006-11-08 EP claimed
EP-1229016-B1 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour DEGUSSA (DE) 2006-01-11 EP claimed
EP-1375551-A1 Aralkylamine blocking agents for non-aqueous polyisocyanate Bayer Aktiengesellschaft (DE) 2004-01-02 EP claimed
EP-1375552-A1 Aqueous and/or water-reducible polyisocyanates blocked with secondary benzyl amines Bayer Aktiengesellschaft (DE) 2004-01-02 EP claimed
EP-0844999-B1 PURIFICATION PROCESS BIOCHEMIE GMBH (AT) 2003-04-23 EP claimed
CN-1185158-A Prepn. of clavulanate salts LEK TOVARNA FARMACEVTSKIH (SI) 1998-06-17 CN claimed
US-3983175-A FROM ORGANIC HALIDE AND A KETONE KURARAY CO., LTD. (JA) 1976-09-28 US claimed

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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT TAAR1 72/4885SLC6A2 859/4885SMN1; SMN2 4609/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT TAAR1 86/4885SLC6A2 924/4885SMN1; SMN2 4615/4885

“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.