SCHEMBL56575

SCHEMBL56575

N#CC1(c2ccccc2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
OPRM1 P35372 2/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
OPRD1 P41143 1/20 0.50
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
OPRL1 P41146 3/20 0.46

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
SCHEMBL18768887 0.98 NPC1 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL19249603 0.98 NPC1 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL181145 0.98 NPC1 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL872608 0.95 OPRM1 (0.56) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
Ethylene SCHEMBL11706079 0.94 NPC1 (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL432561 0.91 OPRM1 (0.59) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL3520928 0.86 NPC1 (0.54) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL624811 0.84 NPC1 (0.51) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
Acrylic Acid SCHEMBL212480 0.83 ALDH1A1 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL3281976 0.83 OPRM1 (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11673857-B2 Preparation method of 1-(4-aminophenyl)cyclopentanecarbonitrile Zhejiang Rongyao Biotech CO., LTD. (CN) 2023-06-13 US disclosed
US-11673857-B2 Preparation method of 1-(4-aminophenyl)cyclopentanecarbonitrile Zhejiang Rongyao Biotech CO., LTD. (CN) 2023-06-13 US disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
WO-1995000483-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 WO disclosed
US-5281714-A Enzyme inhibitors or antioxidants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US disclosed
US-5223530-A Selective high-affinity ligands for treatment of psychological disorders, side effect reduction SRI, INTERNATIONAL (US) 1993-06-29 US disclosed
US-5179216-A Anticholesterol agents and atherosclerosis AMERICAN HOME PRODUCTS CORPORATION (US) 1993-01-12 US disclosed
EP-0495084-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-07-22 EP disclosed
WO-1992002481-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-02-20 WO disclosed
EP-0471493-A1 N,N',N'-trisubstituted-5-bisaminomethylene-1,3-dioxane-4,6-dione inhibitors of acyl-CoA:cholesterol-acyl transferase AMERICAN HOME PRODUCTS CORPORATION (US) 1992-02-19 EP disclosed
US-5086054-A Selective high-affinity ligands to sigma boding sites, administering, amipsychotic, antiarrhythmia, antiischemic agents anticonvulsants, reduced side effects SRI INTERNATIONAL (US) 1992-02-04 US disclosed
US-4684396-A Triazole and imidazole compounds useful as plant growth regulators and fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-04 US disclosed
EP-0153797-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-09-04 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 (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-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT NPC1 161/4885ALDH1A1 984/4885RAB9A 1657/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NPC1 174/4885ALDH1A1 994/4885RAB9A 1917/4885
US-11673857-B2 Preparation method of 1-(4-aminophenyl)cyclopentanecarbonitrile CPNE4, CPN1, DCUN1D4 NPC1 362/4885ALDH1A1 442/4885RAB9A 3108/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPC1 123/4885ALDH1A1 1273/4885RAB9A 1445/4885

“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.