SCHEMBL3399715

SCHEMBL3399715

CCCN1CCC(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 1.00
SLC18A3 Q16572 1/20 0.69
DRD1 P21728 1/20 0.68
DRD4 P21917 1/20 0.68
DRD5 P21918 1/20 0.68
DRD3 P35462 1/20 0.68
CARM1 Q86X55 1/20 0.68
PRMT6 Q96LA8 1/20 0.68
SLC6A4 P31645 1/20 0.67
SIGMAR1 Q99720 3/20 0.63
MEN1 O00255 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61

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
Hydrochloric Acid SCHEMBL3331807 0.92 DRD2 (0.84) DRD2SLC18A3DRD1DRD4DRD5
SCHEMBL1546830 0.91 DRD2 (0.83) DRD2SLC18A3DRD1DRD4DRD5
SCHEMBL1546828 0.91 DRD2 (0.83) DRD2SLC18A3DRD1DRD4DRD5
SCHEMBL3397550 0.90 DRD2 (0.81) DRD2SLC18A3DRD1DRD4DRD5
SCHEMBL152587 0.89 DRD2 (0.81) DRD2SLC18A3DRD1DRD4DRD5
SCHEMBL256656 0.88 DRD2 (0.78) DRD2SLC18A3DRD1DRD4DRD5
SCHEMBL27571644 0.86 DRD2 (0.76) DRD2SLC18A3DRD1DRD4DRD5
SCHEMBL15779804 0.86 DRD2 (0.76) DRD2SLC18A3DRD1DRD4DRD5
SCHEMBL1003503 0.85 DRD2 (0.73) DRD2SLC18A3DRD1DRD4DRD5
SCHEMBL8351025 0.84 DRD2 (0.75) DRD2SLC6A4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020214336-A9 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-11-19 WO disclosed
WO-2020214336-A2 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-10-22 WO disclosed
EP-2900241-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-08 EP disclosed
WO-2018136555-A2 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-26 WO disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
EP-0844097-B1 Thermal paper with security features and security ink therefor NCR INT INC (US) 2001-07-18 EP disclosed
WO-2001046145-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed
US-6106910-A PRINT MEDIUM HAVING A SENSE MARK COMPRISED OF A NEAR INFRARED FLUORESCENT (NIRF) COMPONENT THAT TRIGGERS AUTOMATED OPERATIONS WITHOUT INTERFERENCE FROM PRINTED TEXT OR IMAGES ON THE SUBSTRATE; NIRF PIGMENTS PROTECTED FROM AIR WITH RESIN NCR CORPORATION (US) 2000-08-22 US disclosed
US-6060426-A THERMOSENSITIVE COATING WITH NEAR INFRARED FLUORESCENT COMPOUND NCR CORPORATION (US) 2000-05-09 US disclosed
EP-0933227-A2 Print media with near infrared fluorescent sense mark and printer therefor NCR INTERNATIONAL INC. (US) 1999-08-04 EP disclosed
EP-0933228-A1 Thermosensitive recording material NCR INTERNATIONAL INC. (US) 1999-08-04 EP disclosed
US-5883043-A Thermal paper with security features NCR CORPORATION (US) 1999-03-16 US disclosed
EP-0844097-A1 Thermal paper with security features and security ink therefor NCR INTERNATIONAL INC. (US) 1998-05-27 EP disclosed
US-5741592-A Microsencapsulated system for thermal paper NCR CORPORATION (US) 1998-04-21 US disclosed
EP-0325755-B1 Tricyclic compounds KYOWA HAKKO KOGYO KK (JP) 1994-03-30 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-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 DRD2 4744/4885SLC18A3 4082/4885DRD1 4557/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 DRD2 4161/4885SLC18A3 3374/4885DRD1 3659/4885

“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.