SCHEMBL4036508

SCHEMBL4036508

CN1CCC(CC2CCNCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.48
GNAO1 P09471 5/20 0.43
HRH3 Q9Y5N1 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
ACHE P22303 4/20 0.37
GNAI3 P08754 4/20 0.35
GNAI1 P63096 4/20 0.35
GBA1 P04062 2/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33

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
SCHEMBL22047606 0.92 NCF1 (0.42) NCF1GNAO1HRH3HRH4ACHE
SCHEMBL25565872 0.91 GNAO1 (0.41) NCF1GNAO1HRH3HRH4ACHE
SCHEMBL23416766 0.90 NCF1 (0.43) NCF1GNAO1HRH3HRH4ACHE
SCHEMBL25569153 0.90 NCF1 (0.43) NCF1GNAO1HRH3HRH4ACHE
SCHEMBL3994450 0.86 GNAO1 (0.56) NCF1GNAO1HRH3HRH4ACHE
SCHEMBL24480314 0.86 NCF1 (0.41) NCF1GNAO1HRH3HRH4ACHE
SCHEMBL757866 0.85 NCF1 (0.62) NCF1GNAO1HRH3HRH4ACHE
SCHEMBL18525560 0.84 NCF1 (0.36) NCF1GNAO1ACHE
SCHEMBL9728002 0.83 GNAO1 (0.53) NCF1GNAO1HRH3ACHEGNAI3
SCHEMBL24881447 0.82 NCF1 (0.48) NCF1GNAO1HRH3HRH4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112692-A1 CASITAS B-LINEAGE LYMPHOMA PROTOONCOGENE B (CBL-B) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-05-30 WO disclosed
CN-117487201-A Amphoteric ion exchange resin solution, flow battery diaphragm and all-vanadium flow battery 国家电投集团氢能科技发展有限公司 2024-02-02 CN disclosed
WO-2022047145-A1 RAPIDLY ACCELERATING FIBROSARCOMA PROTEIN DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-03-03 WO disclosed
US-10000472-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2018-06-19 US disclosed
US-20180051037-A1 Photochromic Thienochromene Compounds TRANSITIONS OPTICAL, INC. 2018-02-22 US disclosed
US-9630902-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2017-04-25 US disclosed
US-20160333262-A1 Photochromic Compounds TRANSITIONS OPTICAL, INC. 2016-11-17 US disclosed
US-20160209561-A1 Photochromic Articles That Include Photochromic-Dichroic Materials TRANSITIONS OPTICAL, INC. 2016-07-21 US disclosed
US-20160168135-A1 OXINDOLE DERIVATIVES CARRYING AN OXETANE SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-16 US disclosed
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds TRANSITIONS OPTICAL, INC. 2016-03-03 US disclosed
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP disclosed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US disclosed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US disclosed
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL, INC. (US) 2008-04-24 US disclosed
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL, INC. (US) 2008-04-24 US disclosed
US-7342112-B2 Photochromic compounds PPG INDUSTRIES OHIO, INC. (US) 2008-03-11 US disclosed
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL ,INC. (US) 2008-02-28 US disclosed
US-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method TRANSITIONS OPTICAL, INC. (US) 2008-02-21 US disclosed
EP-1789410-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-05-30 EP disclosed
WO-2006029906-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-03-23 WO 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 (10 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-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT NCF1 4640/4885GNAO1 3472/4885HRH3 620/4885
US-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method CCND3, CCND1, CCND2 NCF1 3168/4885GNAO1 4027/4885HRH3 4004/4885
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 NCF1 3433/4885GNAO1 3851/4885HRH3 4098/4885
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 NCF1 3485/4885GNAO1 1534/4885HRH3 1947/4885
US-20160168135-A1 OXINDOLE DERIVATIVES CARRYING AN OXETANE SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AVPR2, AVPR1B, AVPR1A NCF1 3909/4885GNAO1 517/4885HRH3 707/4885
US-20160333262-A1 Photochromic Compounds CCR4, CCR8, CBR3 NCF1 4299/4885GNAO1 509/4885HRH3 1480/4885
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 NCF1 2485/4885GNAO1 2424/4885HRH3 4576/4885
US-10000472-B2 Photochromic compounds CCR4, CCR8, CBR3 NCF1 4299/4885GNAO1 509/4885HRH3 1480/4885
US-20180051037-A1 Photochromic Thienochromene Compounds CRY1, CRY2, TERT NCF1 2988/4885GNAO1 1027/4885HRH3 456/4885
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 NCF1 2485/4885GNAO1 2424/4885HRH3 4576/4885

“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.