SCHEMBL7355331

SCHEMBL7355331

CCCCCNCC(C)(C)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
EPHX1 P07099 8/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 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
SCHEMBL8100986 0.98 ALDH1A1 (0.52) TSHRALDH1A1POLBSMN1; SMN2L3MBTL1
Phosphoric Acid SCHEMBL506002 0.88 S1PR2 (0.55) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL22027474 0.87 CNR1 (0.51) CNR1CNR2
Phosphoric Acid SCHEMBL11447509 0.85 S1PR2 (0.56) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL17310374 0.85 CYP2C19 (0.36) TSHRALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL1238087 0.82
SCHEMBL8871024 0.81 TSHR (0.55) TSHRALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL4538493 0.81 TSHR (0.55) TSHRALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL9575912 0.81 TSHR (0.55) TSHRALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL3284743 0.81 TSHR (0.55) TSHRALDH1A1POLBSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790246-B2 Nickel compound and method of forming thin film using the nickel compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-10-17 US disclosed
US-20170198001-A1 NICKEL COMPOUND AND METHOD OF FORMING THIN FILM USING THE NICKEL COMPOUND ADEKA CORPORATION (JP) 2017-07-13 US disclosed
US-9637511-B2 Method of forming thin film using a heterostructured nickel compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-05-02 US disclosed
US-20150266913-A1 NICKEL COMPOUND AND METHOD OF FORMING THIN FILM USING THE NICKEL COMPOUND ADEKA CORPORATION (JP) 2015-09-24 US disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0382213-B1 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 US disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP 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-20150266913-A1 NICKEL COMPOUND AND METHOD OF FORMING THIN FILM USING THE NICKEL COMPOUND NIT2, NISCH, NOTCH4 TSHR 4156/4885ALDH1A1 4485/4885POLB 4368/4885
US-20170198001-A1 NICKEL COMPOUND AND METHOD OF FORMING THIN FILM USING THE NICKEL COMPOUND NIT2, NISCH, NOTCH4 TSHR 4156/4885ALDH1A1 4485/4885POLB 4368/4885

“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.